7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

C13H11ClN2O3 — CID 70462339

IUPAC7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESNc1cc2c(cc1Cl)c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2,15H2,(H,18,19)
InChIKeyJRKONIGPINTJGX-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.27
Rot. Bonds2

About 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid

7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 70462339) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
PubChem CID70462339
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
SMILESNc1cc2c(cc1Cl)c(=O)c(C(=O)O)cn2C1CC1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2,15H2,(H,18,19)
InChIKeyJRKONIGPINTJGX-UHFFFAOYSA-N
XLogP2.27
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
6-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13337925
6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 154631856
7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 131667367
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263
6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 10451597
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 59821914
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 10707120
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093
1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid (CID 70462339) is 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is Nc1cc2c(cc1Cl)c(=O)c(C(=O)O)cn2C1CC1.
What is the InChIKey of 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JRKONIGPINTJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2,15H2,(H,18,19).
What are the key properties of 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid?
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 278.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70462339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).