1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C19H11FN2O3 — CID 156786469

IUPAC1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H11FN2O3/c20-11-7-5-10(6-8-11)18(23)17-16-13(9-15(22-17)19(24)25)12-3-1-2-4-14(12)21-16/h1-9,21H,(H,24,25)
InChIKeyUPAKCQAUFFKVIN-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.78
Rot. Bonds3

About 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 156786469) has the molecular formula C19H11FN2O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID156786469
Molecular FormulaC19H11FN2O3
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H11FN2O3/c20-11-7-5-10(6-8-11)18(23)17-16-13(9-15(22-17)19(24)25)12-3-1-2-4-14(12)21-16/h1-9,21H,(H,24,25)
InChIKeyUPAKCQAUFFKVIN-UHFFFAOYSA-N
XLogP3.78
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzylindole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786470
N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 155539998
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
7H-indolo[2,3-c]quinolin-6-yl-(4-methylphenyl)methanone
CID 170637595
1-(2-benzylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175115962
3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 146382207
1-[4-(4-methylsulfonylphenyl)phenyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 176780707
6-bromo-1-(2-phenylacetyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 10927695
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
1-(7-chloroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 15908835
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 156786469) is 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is UPAKCQAUFFKVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O3/c20-11-7-5-10(6-8-11)18(23)17-16-13(9-15(22-17)19(24)25)12-3-1-2-4-14(12)21-16/h1-9,21H,(H,24,25).
What are the key properties of 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 334.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 156786469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).