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

C17H26N2O3S — CID 16927653

IUPACN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
SMILESCC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)C(C)C)ccc21
InChIInChI=1S/C17H26N2O3S/c1-12(2)9-10-19-16-7-6-15(18-23(21,22)13(3)4)11-14(16)5-8-17(19)20/h6-7,11-13,18H,5,8-10H2,1-4H3
InChIKeyGHNMNJLDOSQOOF-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.16
Rot. Bonds6

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

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide (PubChem CID 16927653) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
PubChem CID16927653
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
SMILESCC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)C(C)C)ccc21
InChIInChI=1S/C17H26N2O3S/c1-12(2)9-10-19-16-7-6-15(18-23(21,22)13(3)4)11-14(16)5-8-17(19)20/h6-7,11-13,18H,5,8-10H2,1-4H3
InChIKeyGHNMNJLDOSQOOF-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenylethanesulfonamide
CID 16927652
5-chloro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927646
2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927648
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide?
The IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide (CID 16927653) is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide is CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)C(C)C)ccc21.
What is the InChIKey of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide?
The InChIKey is GHNMNJLDOSQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12(2)9-10-19-16-7-6-15(18-23(21,22)13(3)4)11-14(16)5-8-17(19)20/h6-7,11-13,18H,5,8-10H2,1-4H3.
What are the key properties of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide?
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide is sourced from PubChem (CID 16927653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).