N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide

C15H16N2O4S — CID 7517878

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccco3)cc21
InChIInChI=1S/C15H16N2O4S/c1-22(19,20)17-8-2-4-11-6-7-12(10-13(11)17)16-15(18)14-5-3-9-21-14/h3,5-7,9-10H,2,4,8H2,1H3,(H,16,18)
InChIKeyGCZPAAWNSVMNNC-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.24
Rot. Bonds3

About N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide (PubChem CID 7517878) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
PubChem CID7517878
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccco3)cc21
InChIInChI=1S/C15H16N2O4S/c1-22(19,20)17-8-2-4-11-6-7-12(10-13(11)17)16-15(18)14-5-3-9-21-14/h3,5-7,9-10H,2,4,8H2,1H3,(H,16,18)
InChIKeyGCZPAAWNSVMNNC-UHFFFAOYSA-N
XLogP2.24
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930034
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 121085929
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]furan-2-carboxamide
CID 27443601
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90605271
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 7517345
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658164
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide (CID 7517878) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide is CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccco3)cc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide?
The InChIKey is GCZPAAWNSVMNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-22(19,20)17-8-2-4-11-6-7-12(10-13(11)17)16-15(18)14-5-3-9-21-14/h3,5-7,9-10H,2,4,8H2,1H3,(H,16,18).
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 7517878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).