8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

C14H10N2O3 — CID 19776635

IUPAC8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESN#Cc1cccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H10N2O3/c15-6-8-2-1-3-10-12(8)16(9-4-5-9)7-11(13(10)17)14(18)19/h1-3,7,9H,4-5H2,(H,18,19)
InChIKeyOYHJXXYPVPIHQU-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.91
Rot. Bonds2

About 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 19776635) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
PubChem CID19776635
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESN#Cc1cccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H10N2O3/c15-6-8-2-1-3-10-12(8)16(9-4-5-9)7-11(13(10)17)14(18)19/h1-3,7,9H,4-5H2,(H,18,19)
InChIKeyOYHJXXYPVPIHQU-UHFFFAOYSA-N
XLogP1.91
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67565236
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 150857074
1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10020881
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488
8-amino-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid;hydrate
CID 70531830
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-[4-[2-[4-(2-cyanophenyl)piperazin-1-yl]acetyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 72544609
1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143050584
7-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 19776611
1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 169436318
6-chloro-8-cyano-1-cyclopropyl-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 19776628

Frequently Asked Questions

What is the IUPAC name of 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (CID 19776635) is 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is N#Cc1cccc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OYHJXXYPVPIHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-6-8-2-1-3-10-12(8)16(9-4-5-9)7-11(13(10)17)14(18)19/h1-3,7,9H,4-5H2,(H,18,19).
What are the key properties of 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19776635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).