phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate

C21H24N2O3 — CID 16927201

IUPACphenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C21H24N2O3/c1-15(2)12-13-23-19-10-9-17(14-16(19)8-11-20(23)24)22-21(25)26-18-6-4-3-5-7-18/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,22,25)
InChIKeyHJFDBWTWMVZIFN-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.62
Rot. Bonds5

About phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate

phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate (PubChem CID 16927201) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
PubChem CID16927201
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namephenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C21H24N2O3/c1-15(2)12-13-23-19-10-9-17(14-16(19)8-11-20(23)24)22-21(25)26-18-6-4-3-5-7-18/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,22,25)
InChIKeyHJFDBWTWMVZIFN-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate 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

phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
CID 16828121
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate?
The IUPAC name of phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate (CID 16927201) is phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate?
The canonical SMILES for phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate is CC(C)CCN1C(=O)CCc2cc(NC(=O)Oc3ccccc3)ccc21.
What is the InChIKey of phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate?
The InChIKey is HJFDBWTWMVZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)12-13-23-19-10-9-17(14-16(19)8-11-20(23)24)22-21(25)26-18-6-4-3-5-7-18/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,22,25).
What are the key properties of phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate?
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate is sourced from PubChem (CID 16927201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).