1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one

C19H24FN3O2 — CID 141465686

IUPAC1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
SMILESCOc1c(N2CCN(C)C(C)C2)c(F)cc2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C19H24FN3O2/c1-12-11-22(9-8-21(12)2)18-15(20)10-14-16(24)6-7-23(13-4-5-13)17(14)19(18)25-3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyLQFZDBCHAINQHJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.62
Rot. Bonds3

About 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one

1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one (PubChem CID 141465686) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
PubChem CID141465686
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
SMILESCOc1c(N2CCN(C)C(C)C2)c(F)cc2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C19H24FN3O2/c1-12-11-22(9-8-21(12)2)18-15(20)10-14-16(24)6-7-23(13-4-5-13)17(14)19(18)25-3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyLQFZDBCHAINQHJ-UHFFFAOYSA-N
XLogP2.62
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 143406870
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinolin-4-one
CID 56673587
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
CID 91606345
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771817
1-cyclopropyl-7-(4-dimethoxyphosphoryl-3-methylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 58600511
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(2-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 54771367
1-cyclopropyl-6-fluoro-7-[4-[hydroxy(phenoxy)phosphoryl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;ethane
CID 143187243
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one
CID 67836130
1-cyclopropyl-6-fluoro-7-[4-[(2E)-2-hydroxyiminopropyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771587
1-cyclopropyl-6-fluoro-7-[4-[2-(2-fluorophenyl)ethanethioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 157223847
7-(4-acetyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
CID 42653559
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one?
The IUPAC name of 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one (CID 141465686) is 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one is COc1c(N2CCN(C)C(C)C2)c(F)cc2c(=O)ccn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one?
The InChIKey is LQFZDBCHAINQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12-11-22(9-8-21(12)2)18-15(20)10-14-16(24)6-7-23(13-4-5-13)17(14)19(18)25-3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one?
1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one has a molecular weight of 345.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one is sourced from PubChem (CID 141465686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).