N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide

C22H30N2O2 — CID 1399223

IUPACN-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
SMILESCc1ccc2cc(CN(C(=O)C3CCCCC3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C22H30N2O2/c1-15-10-11-17-13-18(20(25)23-19(17)12-15)14-24(22(2,3)4)21(26)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3,(H,23,25)
InChIKeyHHUVODQDWIQAHS-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.54
Rot. Bonds3

About N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide

N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 1399223) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
PubChem CID1399223
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
SMILESCc1ccc2cc(CN(C(=O)C3CCCCC3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C22H30N2O2/c1-15-10-11-17-13-18(20(25)23-19(17)12-15)14-24(22(2,3)4)21(26)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3,(H,23,25)
InChIKeyHHUVODQDWIQAHS-UHFFFAOYSA-N
XLogP4.54
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide 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-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1397603
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 858511
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylcyclohexanecarboxamide
CID 1385389
N-cyclopentyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3671116
3-cyclohexyl-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1138137
1-cyclopentyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 1141810
N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161601
1-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]thiourea
CID 40611913
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3195105
2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
CID 7141127
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide (CID 1399223) is N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide is Cc1ccc2cc(CN(C(=O)C3CCCCC3)C(C)(C)C)c(=O)[nH]c2c1.
What is the InChIKey of N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is HHUVODQDWIQAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15-10-11-17-13-18(20(25)23-19(17)12-15)14-24(22(2,3)4)21(26)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide?
N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 1399223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).