6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

C19H19FN4O2 — CID 72922187

IUPAC6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=C(c1ccc[nH]1)N1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C19H19FN4O2/c20-13-3-4-16-15(10-13)18(25)11-14(22-16)12-23-6-8-24(9-7-23)19(26)17-2-1-5-21-17/h1-5,10-11,21H,6-9,12H2,(H,22,25)
InChIKeyBVQJYRPEVGCMMD-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.95
Rot. Bonds3

About 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72922187) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72922187
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=C(c1ccc[nH]1)N1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C19H19FN4O2/c20-13-3-4-16-15(10-13)18(25)11-14(22-16)12-23-6-8-24(9-7-23)19(26)17-2-1-5-21-17/h1-5,10-11,21H,6-9,12H2,(H,22,25)
InChIKeyBVQJYRPEVGCMMD-UHFFFAOYSA-N
XLogP1.95
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72871549
6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72899590
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 77090744
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(4-fluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808135
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660
(3aR,6aR)-5-acetyl-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 74239168
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212932

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (CID 72922187) is 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is O=C(c1ccc[nH]1)N1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is BVQJYRPEVGCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-13-3-4-16-15(10-13)18(25)11-14(22-16)12-23-6-8-24(9-7-23)19(26)17-2-1-5-21-17/h1-5,10-11,21H,6-9,12H2,(H,22,25).
What are the key properties of 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 354.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72922187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).