2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile

C21H13ClN4 — CID 139236065

IUPAC2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc3ccccc3nc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C21H13ClN4/c22-20-16(10-14-8-4-5-9-18(14)25-20)15-11-19(13-6-2-1-3-7-13)26-21(24)17(15)12-23/h1-11H,(H2,24,26)
InChIKeyMREPKSJHHUTSSY-UHFFFAOYSA-N
MW356.82 g/mol
LogP5.07
Rot. Bonds2

About 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile (PubChem CID 139236065) has the molecular formula C21H13ClN4 and a molecular weight of 356.82 g/mol. Its IUPAC name is 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile
PubChem CID139236065
Molecular FormulaC21H13ClN4
Molecular Weight356.82 g/mol
Exact Mass356.08
IUPAC Name2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc3ccccc3nc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C21H13ClN4/c22-20-16(10-14-8-4-5-9-18(14)25-20)15-11-19(13-6-2-1-3-7-13)26-21(24)17(15)12-23/h1-11H,(H2,24,26)
InChIKeyMREPKSJHHUTSSY-UHFFFAOYSA-N
XLogP5.07
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Aminoquinoline-3-carbonitrile
CID 268505
6-Aminophenanthridine
CID 160547
4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)benzonitrile
CID 121250394
4-(2-{[(2-Amino-4-Methylquinolin-7-Yl)methyl]amino}ethyl)benzonitrile
CID 121250401
4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)-2-Chlorobenzonitrile
CID 121250403
2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
CID 711464
5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido[2,3-B][1,6]naphthyridine-3-carbonitrile
CID 53322745
2-Amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile
CID 916396
2-(4-Methylquinolin-2-yl)guanidine
CID 9920663
2-(6-Chloro-4-methylquinolin-2-yl)guanidine
CID 9942758
3-(Aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
CID 10215103
3-[(2-Aminoquinolin-7-yl)methylamino]benzonitrile
CID 124145848

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile (CID 139236065) is 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile is N#Cc1c(-c2cc3ccccc3nc2Cl)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is MREPKSJHHUTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4/c22-20-16(10-14-8-4-5-9-18(14)25-20)15-11-19(13-6-2-1-3-7-13)26-21(24)17(15)12-23/h1-11H,(H2,24,26).
What are the key properties of 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 356.82 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloroquinolin-3-yl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 139236065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).