[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C24H30N2O5S — CID 55632192

IUPAC[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCc2cccc(OC)c21
InChIInChI=1S/C24H30N2O5S/c1-30-21-13-12-19(32(28,29)25-14-5-3-4-6-15-25)17-20(21)24(27)26-16-8-10-18-9-7-11-22(31-2)23(18)26/h7,9,11-13,17H,3-6,8,10,14-16H2,1-2H3
InChIKeyJYTXRCADCRBVLI-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.86
Rot. Bonds5

About [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55632192) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55632192
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCc2cccc(OC)c21
InChIInChI=1S/C24H30N2O5S/c1-30-21-13-12-19(32(28,29)25-14-5-3-4-6-15-25)17-20(21)24(27)26-16-8-10-18-9-7-11-22(31-2)23(18)26/h7,9,11-13,17H,3-6,8,10,14-16H2,1-2H3
InChIKeyJYTXRCADCRBVLI-UHFFFAOYSA-N
XLogP3.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112766000
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7964116
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56544019
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148

Frequently Asked Questions

What is the IUPAC name of [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55632192) is [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCc2cccc(OC)c21.
What is the InChIKey of [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is JYTXRCADCRBVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-30-21-13-12-19(32(28,29)25-14-5-3-4-6-15-25)17-20(21)24(27)26-16-8-10-18-9-7-11-22(31-2)23(18)26/h7,9,11-13,17H,3-6,8,10,14-16H2,1-2H3.
What are the key properties of [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 458.58 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55632192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).