N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide

C19H22N2O4S — CID 7586264

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C19H22N2O4S/c1-13-6-9-18(25-3)19(11-13)26(23,24)20-16-8-7-15-5-4-10-21(14(2)22)17(15)12-16/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyBDDBLIVRXUULGA-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.10
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 7586264) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID7586264
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C19H22N2O4S/c1-13-6-9-18(25-3)19(11-13)26(23,24)20-16-8-7-15-5-4-10-21(14(2)22)17(15)12-16/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyBDDBLIVRXUULGA-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 7586264) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is BDDBLIVRXUULGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-6-9-18(25-3)19(11-13)26(23,24)20-16-8-7-15-5-4-10-21(14(2)22)17(15)12-16/h6-9,11-12,20H,4-5,10H2,1-3H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 7586264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).