2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid

C23H28FN3O4 — CID 23117753

IUPAC2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C23H28FN3O4/c24-18-10-16-20(11-19(18)26-14-6-2-1-3-7-14)27(15-8-4-5-9-15)13-17(22(16)30)23(31)25-12-21(28)29/h10-11,13-15,26H,1-9,12H2,(H,25,31)(H,28,29)
InChIKeyGKLCNHZLSVLIGW-UHFFFAOYSA-N
MW429.49 g/mol
LogP3.81
Rot. Bonds6

About 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid

2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid (PubChem CID 23117753) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
PubChem CID23117753
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C23H28FN3O4/c24-18-10-16-20(11-19(18)26-14-6-2-1-3-7-14)27(15-8-4-5-9-15)13-17(22(16)30)23(31)25-12-21(28)29/h10-11,13-15,26H,1-9,12H2,(H,25,31)(H,28,29)
InChIKeyGKLCNHZLSVLIGW-UHFFFAOYSA-N
XLogP3.81
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[7-(cyclohexylamino)-6-fluoro-1-(1-methylsulfonylpyrrolidin-3-yl)-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 68915431
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]ethyl hydrogen sulfate
CID 11409327
2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-(2-piperidin-1-ylethyl)quinoline-3-carbonyl]amino]acetic acid
CID 68916349
7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 150179225
[2-[[7-(cyclohexylamino)-6-fluoro-1-(1-methylpyrrolidin-3-yl)-4-oxoquinoline-3-carbonyl]amino]-1,1-difluoroethyl]phosphonic acid
CID 11857762
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]-2-hydroxyacetic acid
CID 66636889
1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
CID 118619689
(2S)-2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxypropanoic acid
CID 23653460
4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxy-3-hydroxybutanoic acid
CID 123177162
3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
CID 143677029
(2S)-2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxy-3-phenylpropanoic acid
CID 23653457

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid (CID 23117753) is 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O.
What is the InChIKey of 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid?
The InChIKey is GKLCNHZLSVLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4/c24-18-10-16-20(11-19(18)26-14-6-2-1-3-7-14)27(15-8-4-5-9-15)13-17(22(16)30)23(31)25-12-21(28)29/h10-11,13-15,26H,1-9,12H2,(H,25,31)(H,28,29).
What are the key properties of 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid?
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid has a molecular weight of 429.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 23117753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).