4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile

C11H7ClN2O — CID 90959534

IUPAC4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile
SMILESCc1ccc2c(c1)=C(Cl)C(C#N)C(=O)N=2
InChIInChI=1S/C11H7ClN2O/c1-6-2-3-9-7(4-6)10(12)8(5-13)11(15)14-9/h2-4,8H,1H3
InChIKeyYAVPNPBDCQLBJV-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.64
Rot. Bonds

About 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile

4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile (PubChem CID 90959534) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile
PubChem CID90959534
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile
SMILESCc1ccc2c(c1)=C(Cl)C(C#N)C(=O)N=2
InChIInChI=1S/C11H7ClN2O/c1-6-2-3-9-7(4-6)10(12)8(5-13)11(15)14-9/h2-4,8H,1H3
InChIKeyYAVPNPBDCQLBJV-UHFFFAOYSA-N
XLogP0.64
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3H-quinolin-2-one
CID 57098757
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
4-chloro-2-oxo-3H-quinoline-3-carbonitrile
CID 71651365
6-Chloro-7-methylquinoxaline-2,3-dione
CID 85167077
3-(chloromethyl)-3H-quinolin-2-one
CID 45024998
6-chloro-3-(chloromethyl)-3H-quinolin-2-one
CID 45025212
6-bromo-2-oxo-3H-quinoline-3-carbonitrile
CID 45025993
2-oxo-3H-quinoline-3-carbonitrile
CID 71302972
6-chloro-2-oxo-4aH-quinoline-3-carbonitrile
CID 73663961
4-chloro-2-oxo-4aH-quinoline-3-carbonitrile
CID 76845378
4-methyl-2-oxo-3H-quinoline-3-carbonitrile
CID 76848346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile?
The IUPAC name of 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile (CID 90959534) is 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile is Cc1ccc2c(c1)=C(Cl)C(C#N)C(=O)N=2.
What is the InChIKey of 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile?
The InChIKey is YAVPNPBDCQLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c1-6-2-3-9-7(4-6)10(12)8(5-13)11(15)14-9/h2-4,8H,1H3.
What are the key properties of 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile?
4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile has a molecular weight of 218.64 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 90959534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).