1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one

C26H23FN4O2 — CID 141094659

IUPAC1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one
SMILESO=C(c1ccccn1)N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C26H23FN4O2/c27-20-10-8-19(9-11-20)18-31-23-7-2-1-5-21(23)24(17-25(31)32)29-13-15-30(16-14-29)26(33)22-6-3-4-12-28-22/h1-12,17H,13-16,18H2
InChIKeyBHTRCOBBHKYEQY-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.55
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one

1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one (PubChem CID 141094659) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one
PubChem CID141094659
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one
SMILESO=C(c1ccccn1)N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C26H23FN4O2/c27-20-10-8-19(9-11-20)18-31-23-7-2-1-5-21(23)24(17-25(31)32)29-13-15-30(16-14-29)26(33)22-6-3-4-12-28-22/h1-12,17H,13-16,18H2
InChIKeyBHTRCOBBHKYEQY-UHFFFAOYSA-N
XLogP3.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methyl]quinazoline-2,4-dione
CID 145007728
[1-[(4-fluorophenyl)methyl]-2,3-dimethylindol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20940239
1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081886
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 58799173
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]-phenylmethanone;hydrate
CID 110168643
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone
CID 134126856
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one (CID 141094659) is 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one is O=C(c1ccccn1)N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one?
The InChIKey is BHTRCOBBHKYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-20-10-8-19(9-11-20)18-31-23-7-2-1-5-21(23)24(17-25(31)32)29-13-15-30(16-14-29)26(33)22-6-3-4-12-28-22/h1-12,17H,13-16,18H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one?
1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one has a molecular weight of 442.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one is sourced from PubChem (CID 141094659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).