N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C23H25N3O4S — CID 4625523

IUPACN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H25N3O4S/c1-16-4-5-18-15-19(23(28)25-21(18)14-16)10-11-24-22(27)17-6-8-20(9-7-17)31(29,30)26-12-2-3-13-26/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCNMBZKOASXXTPV-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4625523) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4625523
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H25N3O4S/c1-16-4-5-18-15-19(23(28)25-21(18)14-16)10-11-24-22(27)17-6-8-20(9-7-17)31(29,30)26-12-2-3-13-26/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCNMBZKOASXXTPV-UHFFFAOYSA-N
XLogP2.59
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 4625523) is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CNMBZKOASXXTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-4-5-18-15-19(23(28)25-21(18)14-16)10-11-24-22(27)17-6-8-20(9-7-17)31(29,30)26-12-2-3-13-26/h4-9,14-15H,2-3,10-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4625523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).