N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide

C24H24N2O4S — CID 43990206

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1
InChIInChI=1S/C24H24N2O4S/c1-30-22-11-5-7-18(15-22)17-31(28,29)25-21-13-12-19-10-6-14-26(23(19)16-21)24(27)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,25H,6,10,14,17H2,1H3
InChIKeyUYHXLTCUUFLNMC-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.23
Rot. Bonds6

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide (PubChem CID 43990206) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
PubChem CID43990206
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1
InChIInChI=1S/C24H24N2O4S/c1-30-22-11-5-7-18(15-22)17-31(28,29)25-21-13-12-19-10-6-14-26(23(19)16-21)24(27)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,25H,6,10,14,17H2,1H3
InChIKeyUYHXLTCUUFLNMC-UHFFFAOYSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3,4-dimethoxyphenyl)methanesulfonamide
CID 43990209
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 42064977
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
CID 136552165
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 27605044
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide (CID 43990206) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide is COc1cccc(CS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is UYHXLTCUUFLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-30-22-11-5-7-18(15-22)17-31(28,29)25-21-13-12-19-10-6-14-26(23(19)16-21)24(27)20-8-3-2-4-9-20/h2-5,7-9,11-13,15-16,25H,6,10,14,17H2,1H3.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 43990206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).