1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one

C21H18FN3O2 — CID 70758963

IUPAC1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccnc3ccccc23)CCN1Cc1ccccc1F
InChIInChI=1S/C21H18FN3O2/c22-18-7-3-1-5-15(18)13-24-11-12-25(14-20(24)26)21(27)17-9-10-23-19-8-4-2-6-16(17)19/h1-10H,11-14H2
InChIKeyVPBQCVIELNKFOW-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.86
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one (PubChem CID 70758963) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one
PubChem CID70758963
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccnc3ccccc23)CCN1Cc1ccccc1F
InChIInChI=1S/C21H18FN3O2/c22-18-7-3-1-5-15(18)13-24-11-12-25(14-20(24)26)21(27)17-9-10-23-19-8-4-2-6-16(17)19/h1-10H,11-14H2
InChIKeyVPBQCVIELNKFOW-UHFFFAOYSA-N
XLogP2.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 91783345
1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one
CID 70736935
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 28925113
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
quinolin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78829355
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one (CID 70758963) is 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2ccnc3ccccc23)CCN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one?
The InChIKey is VPBQCVIELNKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-18-7-3-1-5-15(18)13-24-11-12-25(14-20(24)26)21(27)17-9-10-23-19-8-4-2-6-16(17)19/h1-10H,11-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one has a molecular weight of 363.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 70758963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).