BRD 6989

CAT: 0926-BB162589-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-BB162589-01Size:10 mg

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CAS Number

642008-81-9

Smiles

CC1CCC2=C (C1) C (=C (C (=N2) N) C#N) C3=CN=CC=C3

Molecular Formula

C16H16N4

Molecular Weight

264.33 g/mol

Controlled

Chemical Information

2-Amino-6-methyl-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is a member of bipyridines.

CAS Number	642008-81-9
PubChem CID	3835861
IUPAC Name	2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Molecular Formula	C16H16N4
Molecular Weight	264.32
XLogP	2.8
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	387

SMILES

CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)

InChIKey

QSYBDNXNOJIKML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 642008-81-9

CID: 3835861

Formula: C16H16N4

MW: 264.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.32
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	264.137496527
Monoisotopic Mass	264.137496527
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes