8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid

C21H17ClN2O3 — CID 18401767

IUPAC8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(Cl)c(-c3ccc4c(c3)CNC4)ccc2c1=O
InChIInChI=1S/C21H17ClN2O3/c22-18-15(11-1-2-12-8-23-9-13(12)7-11)5-6-16-19(18)24(14-3-4-14)10-17(20(16)25)21(26)27/h1-2,5-7,10,14,23H,3-4,8-9H2,(H,26,27)
InChIKeyADETUNJFZXVQQU-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.96
Rot. Bonds3

About 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid

8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 18401767) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID18401767
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(Cl)c(-c3ccc4c(c3)CNC4)ccc2c1=O
InChIInChI=1S/C21H17ClN2O3/c22-18-15(11-1-2-12-8-23-9-13(12)7-11)5-6-16-19(18)24(14-3-4-14)10-17(20(16)25)21(26)27/h1-2,5-7,10,14,23H,3-4,8-9H2,(H,26,27)
InChIKeyADETUNJFZXVQQU-UHFFFAOYSA-N
XLogP3.96
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 21220452
1-cyclopropyl-8-(difluoromethoxy)-4-oxo-7-spiro[2,4-dihydro-1H-isoquinoline-3,1'-cyclopropane]-7-ylquinoline-3-carboxylic acid
CID 53476390
8-chloro-1-cyclopropyl-6-fluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21220310
1-cyclopropyl-8-(difluoromethoxy)-7-[(3S,4S)-3,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-4-oxoquinoline-3-carboxylic acid
CID 53476272
1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10020881
1-cyclopropyl-7-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 90244478
1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 19358363
10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid
CID 71515151
7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 21220312
1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 169436318
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
7-(azepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(2-fluorophenyl)methanamine
CID 145129266

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid (CID 18401767) is 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(Cl)c(-c3ccc4c(c3)CNC4)ccc2c1=O.
What is the InChIKey of 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ADETUNJFZXVQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-18-15(11-1-2-12-8-23-9-13(12)7-11)5-6-16-19(18)24(14-3-4-14)10-17(20(16)25)21(26)27/h1-2,5-7,10,14,23H,3-4,8-9H2,(H,26,27).
What are the key properties of 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?
8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 380.83 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 18401767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).