4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile

C19H12ClN3O — CID 102495647

IUPAC4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile
SMILESCn1c2ccccc2c2c(-c3ccccc3Cl)c(C#N)c(=O)[nH]c21
InChIInChI=1S/C19H12ClN3O/c1-23-15-9-5-3-7-12(15)17-16(11-6-2-4-8-14(11)20)13(10-21)19(24)22-18(17)23/h2-9H,1H3,(H,22,24)
InChIKeyXJJWQCTWNYTDTG-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.21
Rot. Bonds1

About 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile

4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile (PubChem CID 102495647) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile
PubChem CID102495647
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile
SMILESCn1c2ccccc2c2c(-c3ccccc3Cl)c(C#N)c(=O)[nH]c21
InChIInChI=1S/C19H12ClN3O/c1-23-15-9-5-3-7-12(15)17-16(11-6-2-4-8-14(11)20)13(10-21)19(24)22-18(17)23/h2-9H,1H3,(H,22,24)
InChIKeyXJJWQCTWNYTDTG-UHFFFAOYSA-N
XLogP4.21
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-6-methyl-2,5-dioxo-3H-benzo[c][2,7]naphthyridine-1-carbonitrile
CID 136666263
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CID 162669013
4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
CID 2816450
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CID 72546975
2-(2-chlorophenyl)-1-methylindole-3-carboxylic acid
CID 19005908
4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656970
3-(2-chlorophenyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 22425044
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-acetyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
CID 135747029
2-amino-4-(2-chlorophenyl)benzo[h]quinoline-3-carbonitrile
CID 16681031
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione
CID 11688173

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile (CID 102495647) is 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile is Cn1c2ccccc2c2c(-c3ccccc3Cl)c(C#N)c(=O)[nH]c21.
What is the InChIKey of 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile?
The InChIKey is XJJWQCTWNYTDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c1-23-15-9-5-3-7-12(15)17-16(11-6-2-4-8-14(11)20)13(10-21)19(24)22-18(17)23/h2-9H,1H3,(H,22,24).
What are the key properties of 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile?
4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile has a molecular weight of 333.78 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile is sourced from PubChem (CID 102495647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).