7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C19H22FN3O3 — CID 54131792

IUPAC7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESN[C@H]1CCCC[C@H]1Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C19H22FN3O3/c20-13-7-11-17(8-16(13)22-15-4-2-1-3-14(15)21)23(10-5-6-10)9-12(18(11)24)19(25)26/h7-10,14-15,22H,1-6,21H2,(H,25,26)/t14-,15+/m0/s1
InChIKeyNUWNDRICFJJLHD-LSDHHAIUSA-N
MW359.40 g/mol
LogP2.86
Rot. Bonds4

About 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 54131792) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID54131792
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESN[C@H]1CCCC[C@H]1Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C19H22FN3O3/c20-13-7-11-17(8-16(13)22-15-4-2-1-3-14(15)21)23(10-5-6-10)9-12(18(11)24)19(25)26/h7-10,14-15,22H,1-6,21H2,(H,25,26)/t14-,15+/m0/s1
InChIKeyNUWNDRICFJJLHD-LSDHHAIUSA-N
XLogP2.86
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 18643683
7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 150179225
1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
CID 118619689
2-[(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)amino]ethylazanium
CID 118985532
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxopropylamino)ethylamino]quinoline-3-carboxylic acid
CID 91337608
1-cyclopropyl-6-fluoro-4-oxo-7-(4-propan-2-ylanilino)quinoline-3-carboxylic acid
CID 22277684
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67916341
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753

Frequently Asked Questions

What is the IUPAC name of 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 54131792) is 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is N[C@H]1CCCC[C@H]1Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1.
What is the InChIKey of 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is NUWNDRICFJJLHD-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-13-7-11-17(8-16(13)22-15-4-2-1-3-14(15)21)23(10-5-6-10)9-12(18(11)24)19(25)26/h7-10,14-15,22H,1-6,21H2,(H,25,26)/t14-,15+/m0/s1.
What are the key properties of 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54131792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).