1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid

C19H12F2N2O3 — CID 46927955

IUPAC1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3c4ccc(F)cc4[nH]c32)c1=O
InChIInChI=1S/C19H12F2N2O3/c20-8-1-4-10-14(5-8)22-16-15(10)13(21)6-11-17(16)23(9-2-3-9)7-12(18(11)24)19(25)26/h1,4-7,9,22H,2-3H2,(H,25,26)
InChIKeyXQNPXLCCTHGBRO-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.95
Rot. Bonds2

About 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid

1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid (PubChem CID 46927955) has the molecular formula C19H12F2N2O3 and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid
PubChem CID46927955
Molecular FormulaC19H12F2N2O3
Molecular Weight354.31 g/mol
Exact Mass354.08
IUPAC Name1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3c4ccc(F)cc4[nH]c32)c1=O
InChIInChI=1S/C19H12F2N2O3/c20-8-1-4-10-14(5-8)22-16-15(10)13(21)6-11-17(16)23(9-2-3-9)7-12(18(11)24)19(25)26/h1,4-7,9,22H,2-3H2,(H,25,26)
InChIKeyXQNPXLCCTHGBRO-UHFFFAOYSA-N
XLogP3.95
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
CID 122397553
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
CID 11988581
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67565236
1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;1,4-diazepane
CID 142119061
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid
CID 14554998
(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
CID 102155134

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid (CID 46927955) is 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(cc(F)c3c4ccc(F)cc4[nH]c32)c1=O.
What is the InChIKey of 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid?
The InChIKey is XQNPXLCCTHGBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O3/c20-8-1-4-10-14(5-8)22-16-15(10)13(21)6-11-17(16)23(9-2-3-9)7-12(18(11)24)19(25)26/h1,4-7,9,22H,2-3H2,(H,25,26).
What are the key properties of 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid?
1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid has a molecular weight of 354.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid is sourced from PubChem (CID 46927955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).