3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one

C22H20N4O2 — CID 5329377

IUPAC3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1
InChIInChI=1S/C22H20N4O2/c27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26/h1-6,11-13,23-24H,7-10H2,(H,25,27)
InChIKeyBFXROLSTCOFFGC-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.72
Rot. Bonds2

About 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 5329377) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID5329377
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1
InChIInChI=1S/C22H20N4O2/c27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26/h1-6,11-13,23-24H,7-10H2,(H,25,27)
InChIKeyBFXROLSTCOFFGC-UHFFFAOYSA-N
XLogP2.72
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one (CID 5329377) is 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one is O=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1.
What is the InChIKey of 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is BFXROLSTCOFFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26/h1-6,11-13,23-24H,7-10H2,(H,25,27).
What are the key properties of 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 5329377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).