1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one

C17H20FN3O — CID 135139864

IUPAC1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
SMILESCC1CN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CCN1
InChIInChI=1S/C17H20FN3O/c1-11-10-20(7-5-19-11)16-9-15-13(8-14(16)18)17(22)4-6-21(15)12-2-3-12/h4,6,8-9,11-12,19H,2-3,5,7,10H2,1H3
InChIKeyCPWGBVUZZOLYAD-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.27
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one

1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one (PubChem CID 135139864) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
PubChem CID135139864
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
SMILESCC1CN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CCN1
InChIInChI=1S/C17H20FN3O/c1-11-10-20(7-5-19-11)16-9-15-13(8-14(16)18)17(22)4-6-21(15)12-2-3-12/h4,6,8-9,11-12,19H,2-3,5,7,10H2,1H3
InChIKeyCPWGBVUZZOLYAD-UHFFFAOYSA-N
XLogP2.27
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-6-fluoro-7-[3-(4-methylcyclohexyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 23313604
S-iodo 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbothioate
CID 153393085
1-cyclopropyl-6-fluoro-4-oxo-7-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 23313611
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-2,3-dihydroquinoline-3-carboxylic acid
CID 150948832
9-cyclopropyl-6-fluoro-3-methyl-7-(3-methylpiperazin-1-yl)-4-oxothieno[2,3-b]quinoline-2-carboxamide;9-cyclopropyl-6-fluoro-3-methyl-4-oxo-7-piperazin-1-ylthieno[2,3-b]quinoline-2-carboxamide
CID 123960726
sodium 1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 67896247
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate;hydrochloride
CID 139032857
1-cyclopropyl-7-[3-(diethylcarbamoyloxymethyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 71524954
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 18985320
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one (CID 135139864) is 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one is CC1CN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CCN1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one?
The InChIKey is CPWGBVUZZOLYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-10-20(7-5-19-11)16-9-15-13(8-14(16)18)17(22)4-6-21(15)12-2-3-12/h4,6,8-9,11-12,19H,2-3,5,7,10H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one?
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one has a molecular weight of 301.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one is sourced from PubChem (CID 135139864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).