7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid

C19H16FNO3 — CID 143264782

IUPAC7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(C)c(F)c(C)c21
InChIInChI=1S/C19H16FNO3/c1-10-6-4-5-7-15(10)21-9-14(19(23)24)18(22)13-8-11(2)16(20)12(3)17(13)21/h4-9H,1-3H3,(H,23,24)
InChIKeyKTQBQIITLGTQFJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.75
Rot. Bonds2

About 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid

7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 143264782) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID143264782
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(C)c(F)c(C)c21
InChIInChI=1S/C19H16FNO3/c1-10-6-4-5-7-15(10)21-9-14(19(23)24)18(22)13-8-11(2)16(20)12(3)17(13)21/h4-9H,1-3H3,(H,23,24)
InChIKeyKTQBQIITLGTQFJ-UHFFFAOYSA-N
XLogP3.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
1-[5-amino-4-fluoro-2-(hydroxymethyl)phenyl]-6,7-difluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 138556154
10,11-difluoro-14-oxo-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid;ethyl 10,11-difluoro-14-oxo-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylate
CID 158317928
6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 21290567
18,19-difluoro-9-methyl-15-oxo-2,9,11,12-tetrazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),3,5,7,10,13,16,18-octaene-14-carboxylic acid
CID 15872340
1-(5-amino-4-fluoro-2-methylphenyl)-7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 15518476
14,15-difluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid;ethyl 14,15-difluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylate
CID 159165421
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
ethyl 14,15,16-trifluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxylate;14,15,16-trifluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxylic acid
CID 159129126
1-(5-amino-2,4-difluorophenyl)-8-methyl-7-(methylamino)-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 23284812
6,8-difluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 1208020
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid (CID 143264782) is 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid is Cc1ccccc1-n1cc(C(=O)O)c(=O)c2cc(C)c(F)c(C)c21.
What is the InChIKey of 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KTQBQIITLGTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-10-6-4-5-7-15(10)21-9-14(19(23)24)18(22)13-8-11(2)16(20)12(3)17(13)21/h4-9H,1-3H3,(H,23,24).
What are the key properties of 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid?
7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 325.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6,8-dimethyl-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143264782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).