N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide

C16H16N2O4S — CID 170505012

IUPACN-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
SMILESCOc1cc2c(C)cc(-c3ccco3)nc2cc1NS(C)(=O)=O
InChIInChI=1S/C16H16N2O4S/c1-10-7-13(15-5-4-6-22-15)17-12-9-14(18-23(3,19)20)16(21-2)8-11(10)12/h4-9,18H,1-3H3
InChIKeyLWXNBSPOPLZXDG-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide

N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide (PubChem CID 170505012) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
PubChem CID170505012
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
SMILESCOc1cc2c(C)cc(-c3ccco3)nc2cc1NS(C)(=O)=O
InChIInChI=1S/C16H16N2O4S/c1-10-7-13(15-5-4-6-22-15)17-12-9-14(18-23(3,19)20)16(21-2)8-11(10)12/h4-9,18H,1-3H3
InChIKeyLWXNBSPOPLZXDG-UHFFFAOYSA-N
XLogP3.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 169421069
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851
N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
CID 170513028
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
CID 171911939
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 75360227
2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 169417094
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol
CID 162651802
N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide (CID 170505012) is N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide is COc1cc2c(C)cc(-c3ccco3)nc2cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
The InChIKey is LWXNBSPOPLZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-7-13(15-5-4-6-22-15)17-12-9-14(18-23(3,19)20)16(21-2)8-11(10)12/h4-9,18H,1-3H3.
What are the key properties of N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 170505012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).