7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C20H22F2N2O3 — CID 122197409

IUPAC7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(CNC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C20H22F2N2O3/c21-16-8-13-18(17(22)14(16)9-23-11-4-2-1-3-5-11)24(12-6-7-12)10-15(19(13)25)20(26)27/h8,10-12,23H,1-7,9H2,(H,26,27)
InChIKeyFNLWQODIRKDSFZ-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.74
Rot. Bonds5

About 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 122197409) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID122197409
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(CNC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C20H22F2N2O3/c21-16-8-13-18(17(22)14(16)9-23-11-4-2-1-3-5-11)24(12-6-7-12)10-15(19(13)25)20(26)27/h8,10-12,23H,1-7,9H2,(H,26,27)
InChIKeyFNLWQODIRKDSFZ-UHFFFAOYSA-N
XLogP3.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride
CID 45261882
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
1-cyclopropyl-7-[[(3,5-dimethyl-2-pyridinyl)amino]methyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10340869
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-[(3-chloroanilino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 45265166
1-cyclopropyl-6,8-difluoro-7-(imidazol-1-ylmethyl)-4-oxoquinoline-3-carboxylic acid
CID 122197410
7-(2-aminopropoxy)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14846355
1-cyclopropyl-7-[(N-ethylanilino)methyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197411
1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid
CID 10785808
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717

Frequently Asked Questions

What is the IUPAC name of 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 122197409) is 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(F)c(CNC3CCCCC3)c(F)cc2c1=O.
What is the InChIKey of 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FNLWQODIRKDSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-16-8-13-18(17(22)14(16)9-23-11-4-2-1-3-5-11)24(12-6-7-12)10-15(19(13)25)20(26)27/h8,10-12,23H,1-7,9H2,(H,26,27).
What are the key properties of 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 376.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 122197409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).