2-amino-6-methyl-3-phenylquinoline-4-carbonitrile

C17H13N3 — CID 123813624

IUPAC2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
SMILESCc1ccc2nc(N)c(-c3ccccc3)c(C#N)c2c1
InChIInChI=1S/C17H13N3/c1-11-7-8-15-13(9-11)14(10-18)16(17(19)20-15)12-5-3-2-4-6-12/h2-9H,1H3,(H2,19,20)
InChIKeyUHUVFSKRIJOOSZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.66
Rot. Bonds1

About 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile

2-amino-6-methyl-3-phenylquinoline-4-carbonitrile (PubChem CID 123813624) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
PubChem CID123813624
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
SMILESCc1ccc2nc(N)c(-c3ccccc3)c(C#N)c2c1
InChIInChI=1S/C17H13N3/c1-11-7-8-15-13(9-11)14(10-18)16(17(19)20-15)12-5-3-2-4-6-12/h2-9H,1H3,(H2,19,20)
InChIKeyUHUVFSKRIJOOSZ-UHFFFAOYSA-N
XLogP3.66
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
CID 11616030
6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
4-amino-2,6-dimethyl-5-phenylpyridine-3-carbonitrile
CID 69458683
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2,6-di(carbazol-9-yl)-4-phenylpyridine-3,5-dicarbonitrile;2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile;2,4,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 159171275
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile?
The IUPAC name of 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile (CID 123813624) is 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile is Cc1ccc2nc(N)c(-c3ccccc3)c(C#N)c2c1.
What is the InChIKey of 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile?
The InChIKey is UHUVFSKRIJOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-11-7-8-15-13(9-11)14(10-18)16(17(19)20-15)12-5-3-2-4-6-12/h2-9H,1H3,(H2,19,20).
What are the key properties of 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile?
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-3-phenylquinoline-4-carbonitrile is sourced from PubChem (CID 123813624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).