7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one

C26H25FN4O3 — CID 175202206

IUPAC7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)C=Cc2cccnc2)cn3C2CC2)CC1
InChIInChI=1S/C26H25FN4O3/c1-17(32)29-9-11-30(12-10-29)24-14-23-20(13-22(24)27)26(34)21(16-31(23)19-5-6-19)25(33)7-4-18-3-2-8-28-15-18/h2-4,7-8,13-16,19H,5-6,9-12H2,1H3
InChIKeyKJRSVASBXIMFRB-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.44
Rot. Bonds5

About 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one (PubChem CID 175202206) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one
PubChem CID175202206
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)C=Cc2cccnc2)cn3C2CC2)CC1
InChIInChI=1S/C26H25FN4O3/c1-17(32)29-9-11-30(12-10-29)24-14-23-20(13-22(24)27)26(34)21(16-31(23)19-5-6-19)25(33)7-4-18-3-2-8-28-15-18/h2-4,7-8,13-16,19H,5-6,9-12H2,1H3
InChIKeyKJRSVASBXIMFRB-UHFFFAOYSA-N
XLogP3.44
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one with MolForge

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Related Compounds

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-[3-(4-methylphenyl)prop-2-enoyl]quinolin-4-one
CID 175201729
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4-one
CID 175030306
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(imidazole-1-carbonyl)quinolin-4-one
CID 175207846
1-cyclopropyl-6-fluoro-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-piperazin-1-ylquinolin-4-one
CID 175129641
7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one
CID 175119351
7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-[3-(4-fluorophenyl)prop-2-enoyl]quinolin-4-one
CID 175127626
N-[(E)-[7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide
CID 71747524
cyanomethyl 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 7762016
2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]but-2-enedioic acid
CID 54159411
1-cyclopropyl-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 45482297
7-[4-[18-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]-18-oxooctadecanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 56933504
1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one (CID 175202206) is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one is CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)C=Cc2cccnc2)cn3C2CC2)CC1.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one?
The InChIKey is KJRSVASBXIMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-17(32)29-9-11-30(12-10-29)24-14-23-20(13-22(24)27)26(34)21(16-31(23)19-5-6-19)25(33)7-4-18-3-2-8-28-15-18/h2-4,7-8,13-16,19H,5-6,9-12H2,1H3.
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one?
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one has a molecular weight of 460.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)quinolin-4-one is sourced from PubChem (CID 175202206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).