1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H33N3O4S — CID 55460578

IUPAC1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O4S/c1-5-26(6-2)24(19-9-7-11-21(15-19)31-4)17-25-32(29,30)22-12-13-23-20(16-22)10-8-14-27(23)18(3)28/h7,9,11-13,15-16,24-25H,5-6,8,10,14,17H2,1-4H3
InChIKeyCRBDOOJMSKJSRW-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.36
Rot. Bonds9

About 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55460578) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55460578
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O4S/c1-5-26(6-2)24(19-9-7-11-21(15-19)31-4)17-25-32(29,30)22-12-13-23-20(16-22)10-8-14-27(23)18(3)28/h7,9,11-13,15-16,24-25H,5-6,8,10,14,17H2,1-4H3
InChIKeyCRBDOOJMSKJSRW-UHFFFAOYSA-N
XLogP3.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508412
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508575
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133191767
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55460578) is 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1cccc(OC)c1.
What is the InChIKey of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is CRBDOOJMSKJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-5-26(6-2)24(19-9-7-11-21(15-19)31-4)17-25-32(29,30)22-12-13-23-20(16-22)10-8-14-27(23)18(3)28/h7,9,11-13,15-16,24-25H,5-6,8,10,14,17H2,1-4H3.
What are the key properties of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 459.61 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55460578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).