N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide

C23H29ClN2O — CID 3215121

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(C(=O)C3CCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C23H29ClN2O/c1-15-11-16(2)21-18(12-15)13-19(22(24)25-21)14-26(20-9-4-3-5-10-20)23(27)17-7-6-8-17/h11-13,17,20H,3-10,14H2,1-2H3
InChIKeyISKGTDFVDFJDLD-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.97
Rot. Bonds4

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide (PubChem CID 3215121) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
PubChem CID3215121
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(C(=O)C3CCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C23H29ClN2O/c1-15-11-16(2)21-18(12-15)13-19(22(24)25-21)14-26(20-9-4-3-5-10-20)23(27)17-7-6-8-17/h11-13,17,20H,3-10,14H2,1-2H3
InChIKeyISKGTDFVDFJDLD-UHFFFAOYSA-N
XLogP5.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclopentylacetamide
CID 1459902
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylbenzamide
CID 3215123
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclohexyl-3-(2-methylphenyl)urea
CID 3215116
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide
CID 856830
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 3215107
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea
CID 1467828
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
CID 857469
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,5-dimethoxy-N-(4-methylcyclohexyl)benzamide
CID 3229743
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 856829
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
CID 1459732

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide (CID 3215121) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide is Cc1cc(C)c2nc(Cl)c(CN(C(=O)C3CCC3)C3CCCCC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide?
The InChIKey is ISKGTDFVDFJDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-15-11-16(2)21-18(12-15)13-19(22(24)25-21)14-26(20-9-4-3-5-10-20)23(27)17-7-6-8-17/h11-13,17,20H,3-10,14H2,1-2H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide has a molecular weight of 384.95 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide is sourced from PubChem (CID 3215121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).