6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide

C17H12Cl2N2O — CID 8966744

IUPAC6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(N)=O
InChIInChI=1S/C17H12Cl2N2O/c1-9-15(17(20)22)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)21-9/h2-8H,1H3,(H2,20,22)
InChIKeyJTUBNNNOFINJCU-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.62
Rot. Bonds2

About 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide

6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide (PubChem CID 8966744) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
PubChem CID8966744
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(N)=O
InChIInChI=1S/C17H12Cl2N2O/c1-9-15(17(20)22)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)21-9/h2-8H,1H3,(H2,20,22)
InChIKeyJTUBNNNOFINJCU-UHFFFAOYSA-N
XLogP4.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide (CID 8966744) is 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(N)=O.
What is the InChIKey of 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
The InChIKey is JTUBNNNOFINJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c1-9-15(17(20)22)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)21-9/h2-8H,1H3,(H2,20,22).
What are the key properties of 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 8966744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).