7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C24H24ClN3O3S — CID 108809732

IUPAC7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C24H24ClN3O3S/c25-17-8-11-22-20(14-17)23(19-4-3-5-21(19)27-22)24(29)26-15-16-6-9-18(10-7-16)32(30,31)28-12-1-2-13-28/h6-11,14H,1-5,12-13,15H2,(H,26,29)
InChIKeyBBYNMQDCZGJWDJ-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.09
Rot. Bonds5

About 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108809732) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108809732
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C24H24ClN3O3S/c25-17-8-11-22-20(14-17)23(19-4-3-5-21(19)27-22)24(29)26-15-16-6-9-18(10-7-16)32(30,31)28-12-1-2-13-28/h6-11,14H,1-5,12-13,15H2,(H,26,29)
InChIKeyBBYNMQDCZGJWDJ-UHFFFAOYSA-N
XLogP4.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636
7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786527
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 53207007
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108809732) is 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is BBYNMQDCZGJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-17-8-11-22-20(14-17)23(19-4-3-5-21(19)27-22)24(29)26-15-16-6-9-18(10-7-16)32(30,31)28-12-1-2-13-28/h6-11,14H,1-5,12-13,15H2,(H,26,29).
What are the key properties of 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108809732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).