4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide

C18H15Cl2N3O — CID 122185963

IUPAC4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)
InChIKeyZLSZDEARRQRWGO-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.56
Rot. Bonds4

About 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide

4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide (PubChem CID 122185963) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
PubChem CID122185963
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)
InChIKeyZLSZDEARRQRWGO-UHFFFAOYSA-N
XLogP4.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-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

2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
CID 122185951
6-fluoro-2-methyl-4-[(2,3,6-trichlorophenyl)methylamino]quinoline-8-carboxamide
CID 91827499
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
CID 122185970
[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
CID 122186007
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
CID 59474775
4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
CID 70849512
[4-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]urea
CID 133436481
2-methyl-4-(propylamino)quinolin-8-ol
CID 45097479
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
CID 7138156
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide (CID 122185963) is 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide is Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide?
The InChIKey is ZLSZDEARRQRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide?
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide has a molecular weight of 360.24 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide is sourced from PubChem (CID 122185963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).