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

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).