8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one

C21H19ClN4O — CID 118156193

IUPAC8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESO=c1[nH]c2c([nH]c3ccc(Cl)cc32)c(-c2ccccc2)c1N1CCNCC1
InChIInChI=1S/C21H19ClN4O/c22-14-6-7-16-15(12-14)18-19(24-16)17(13-4-2-1-3-5-13)20(21(27)25-18)26-10-8-23-9-11-26/h1-7,12,23-24H,8-11H2,(H,25,27)
InChIKeyUVIVMLOPJCVFRK-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.74
Rot. Bonds2

About 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one

8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 118156193) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID118156193
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESO=c1[nH]c2c([nH]c3ccc(Cl)cc32)c(-c2ccccc2)c1N1CCNCC1
InChIInChI=1S/C21H19ClN4O/c22-14-6-7-16-15(12-14)18-19(24-16)17(13-4-2-1-3-5-13)20(21(27)25-18)26-10-8-23-9-11-26/h1-7,12,23-24H,8-11H2,(H,25,27)
InChIKeyUVIVMLOPJCVFRK-UHFFFAOYSA-N
XLogP3.74
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
CID 40816906
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 123416407
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
CID 4874001
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 4874002
6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816912
3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane
CID 144861903
6-chloro-3-[(3S)-3-[(2R)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816909
6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1H-quinolin-2-one
CID 1421862
6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
CID 142993457

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one (CID 118156193) is 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one is O=c1[nH]c2c([nH]c3ccc(Cl)cc32)c(-c2ccccc2)c1N1CCNCC1.
What is the InChIKey of 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is UVIVMLOPJCVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-14-6-7-16-15(12-14)18-19(24-16)17(13-4-2-1-3-5-13)20(21(27)25-18)26-10-8-23-9-11-26/h1-7,12,23-24H,8-11H2,(H,25,27).
What are the key properties of 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one?
8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 378.86 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 118156193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).