1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H26N2O5S — CID 46361748

IUPAC1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)cc(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-28-18-12-17(13-19(14-18)29-2)23-30(26,27)20-8-9-21-16(11-20)7-4-10-24(21)22(25)15-5-3-6-15/h8-9,11-15,23H,3-7,10H2,1-2H3
InChIKeyUWDILXSXAGWLFG-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.58
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 46361748) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID46361748
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)cc(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-28-18-12-17(13-19(14-18)29-2)23-30(26,27)20-8-9-21-16(11-20)7-4-10-24(21)22(25)15-5-3-6-15/h8-9,11-15,23H,3-7,10H2,1-2H3
InChIKeyUWDILXSXAGWLFG-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361770
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911656
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 15994355
N-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 171354423
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 154934385

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 46361748) is 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)cc(OC)c1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is UWDILXSXAGWLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-28-18-12-17(13-19(14-18)29-2)23-30(26,27)20-8-9-21-16(11-20)7-4-10-24(21)22(25)15-5-3-6-15/h8-9,11-15,23H,3-7,10H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 46361748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).