N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide

C28H33ClN2O3 — CID 3229743

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCC(C)CC2)c1
InChIInChI=1S/C28H33ClN2O3/c1-17-6-8-23(9-7-17)31(28(32)21-13-24(33-4)15-25(14-21)34-5)16-22-12-20-11-18(2)10-19(3)26(20)30-27(22)29/h10-15,17,23H,6-9,16H2,1-5H3
InChIKeyFUPJEWQAGPADAB-UHFFFAOYSA-N
MW481.04 g/mol
LogP6.74
Rot. Bonds6

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide (PubChem CID 3229743) has the molecular formula C28H33ClN2O3 and a molecular weight of 481.04 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide
PubChem CID3229743
Molecular FormulaC28H33ClN2O3
Molecular Weight481.04 g/mol
Exact Mass480.22
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCC(C)CC2)c1
InChIInChI=1S/C28H33ClN2O3/c1-17-6-8-23(9-7-17)31(28(32)21-13-24(33-4)15-25(14-21)34-5)16-22-12-20-11-18(2)10-19(3)26(20)30-27(22)29/h10-15,17,23H,6-9,16H2,1-5H3
InChIKeyFUPJEWQAGPADAB-UHFFFAOYSA-N
XLogP6.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylbenzamide
CID 3215123
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 1459902
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
CID 3215121
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea
CID 1467828
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclohexyl-3-(2-methylphenyl)urea
CID 3215116
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353
N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 3215107
N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 3216791
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
CID 26342096
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
CID 857469
3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 78985060

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide (CID 3229743) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide is COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCC(C)CC2)c1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide?
The InChIKey is FUPJEWQAGPADAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O3/c1-17-6-8-23(9-7-17)31(28(32)21-13-24(33-4)15-25(14-21)34-5)16-22-12-20-11-18(2)10-19(3)26(20)30-27(22)29/h10-15,17,23H,6-9,16H2,1-5H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide has a molecular weight of 481.04 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 3229743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).