6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide

C19H17ClN2O — CID 2566478

IUPAC6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N(C)C
InChIInChI=1S/C19H17ClN2O/c1-12-17(19(23)22(2)3)18(13-7-5-4-6-8-13)15-11-14(20)9-10-16(15)21-12/h4-11H,1-3H3
InChIKeyNUJCXNULIYWZQV-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.57
Rot. Bonds2

About 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide

6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide (PubChem CID 2566478) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide
PubChem CID2566478
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N(C)C
InChIInChI=1S/C19H17ClN2O/c1-12-17(19(23)22(2)3)18(13-7-5-4-6-8-13)15-11-14(20)9-10-16(15)21-12/h4-11H,1-3H3
InChIKeyNUJCXNULIYWZQV-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide (CID 2566478) is 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N(C)C.
What is the InChIKey of 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide?
The InChIKey is NUJCXNULIYWZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12-17(19(23)22(2)3)18(13-7-5-4-6-8-13)15-11-14(20)9-10-16(15)21-12/h4-11H,1-3H3.
What are the key properties of 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide?
6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,2-trimethyl-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 2566478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).