4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

C27H27ClN4O — CID 126594040

IUPAC4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCCN(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C27H27ClN4O/c1-17-15-23-26(18(2)25(17)19-9-11-29-12-10-19)21(20-7-5-6-8-22(20)28)16-24(31-23)27(33)30-13-14-32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,30,33)
InChIKeyLZCDDTIJAMHUFN-UHFFFAOYSA-N
MW458.99 g/mol
LogP5.53
Rot. Bonds6

About 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126594040) has the molecular formula C27H27ClN4O and a molecular weight of 458.99 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126594040
Molecular FormulaC27H27ClN4O
Molecular Weight458.99 g/mol
Exact Mass458.19
IUPAC Name4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCCN(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C27H27ClN4O/c1-17-15-23-26(18(2)25(17)19-9-11-29-12-10-19)21(20-7-5-6-8-22(20)28)16-24(31-23)27(33)30-13-14-32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,30,33)
InChIKeyLZCDDTIJAMHUFN-UHFFFAOYSA-N
XLogP5.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
N-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 25186569
2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(pyridin-2-ylmethyl)terephthalamide
CID 50898449
6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
CID 11231942
N-sec-Butyl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 11500992
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-(4-pyridyl)cinchoninamide
CID 2126848
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
Dipeptidyl nitrile inhibitor, 16
CID 44224126
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57394445

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126594040) is 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is Cc1cc2nc(C(=O)NCCN(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is LZCDDTIJAMHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O/c1-17-15-23-26(18(2)25(17)19-9-11-29-12-10-19)21(20-7-5-6-8-22(20)28)16-24(31-23)27(33)30-13-14-32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,30,33).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 458.99 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126594040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).