1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid

C20H23FN2O4 — CID 118619689

IUPAC1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c2cc(NC3CCCOC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN2O4/c21-16-8-14-18(9-17(16)22-12-4-3-7-27-11-12)23(13-5-1-2-6-13)10-15(19(14)24)20(25)26/h8-10,12-13,22H,1-7,11H2,(H,25,26)
InChIKeyPDJIORUAUDKJDJ-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid

1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid (PubChem CID 118619689) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
PubChem CID118619689
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c2cc(NC3CCCOC3)c(F)cc2c1=O
InChIInChI=1S/C20H23FN2O4/c21-16-8-14-18(9-17(16)22-12-4-3-7-27-11-12)23(13-5-1-2-6-13)10-15(19(14)24)20(25)26/h8-10,12-13,22H,1-7,11H2,(H,25,26)
InChIKeyPDJIORUAUDKJDJ-UHFFFAOYSA-N
XLogP3.54
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 150179225
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753
7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54131792
2-[(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)amino]ethylazanium
CID 118985532
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]-2-hydroxyacetic acid
CID 66636889
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxopropylamino)ethylamino]quinoline-3-carboxylic acid
CID 91337608
(2S)-2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxypropanoic acid
CID 23653460
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxy-3-hydroxybutanoic acid
CID 123177162
2-[[7-(cyclohexylamino)-6-fluoro-1-(1-methylsulfonylpyrrolidin-3-yl)-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 68915431
3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
CID 143677029

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid (CID 118619689) is 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CCCC2)c2cc(NC3CCCOC3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PDJIORUAUDKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c21-16-8-14-18(9-17(16)22-12-4-3-7-27-11-12)23(13-5-1-2-6-13)10-15(19(14)24)20(25)26/h8-10,12-13,22H,1-7,11H2,(H,25,26).
What are the key properties of 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid?
1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 374.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 118619689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).