N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide

C19H22N2O4S — CID 7498773

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1C
InChIInChI=1S/C19H22N2O4S/c1-13-11-17(7-9-19(13)25-3)26(23,24)20-16-6-8-18-15(12-16)5-4-10-21(18)14(2)22/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyHQEOSDNOFAMUTF-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.10
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 7498773) 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-6-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID7498773
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1C
InChIInChI=1S/C19H22N2O4S/c1-13-11-17(7-9-19(13)25-3)26(23,24)20-16-6-8-18-15(12-16)5-4-10-21(18)14(2)22/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyHQEOSDNOFAMUTF-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

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide with MolForge

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Related Compounds

4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
CID 171343854
4-methoxy-3-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955843
4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448407
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
1-acetyl-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100516505
1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133217517
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806
4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 7498773) is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1C.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is HQEOSDNOFAMUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-11-17(7-9-19(13)25-3)26(23,24)20-16-6-8-18-15(12-16)5-4-10-21(18)14(2)22/h6-9,11-12,20H,4-5,10H2,1-3H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-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-6-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 7498773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).