8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid

C18H12ClN3O3 — CID 57216606

IUPAC8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
SMILESCn1c2ccc(Cl)cc2c2c(C(=O)O)nn(-c3ccccc3)c(=O)c21
InChIInChI=1S/C18H12ClN3O3/c1-21-13-8-7-10(19)9-12(13)14-15(18(24)25)20-22(17(23)16(14)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25)
InChIKeyHJBZOFCKFSVPOA-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.23
Rot. Bonds2

About 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid

8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid (PubChem CID 57216606) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
PubChem CID57216606
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
SMILESCn1c2ccc(Cl)cc2c2c(C(=O)O)nn(-c3ccccc3)c(=O)c21
InChIInChI=1S/C18H12ClN3O3/c1-21-13-8-7-10(19)9-12(13)14-15(18(24)25)20-22(17(23)16(14)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25)
InChIKeyHJBZOFCKFSVPOA-UHFFFAOYSA-N
XLogP3.23
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-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

1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-2-methyl-
CID 9945282
1-Benzyl-5-Chloro-3-(2-Fluorophenyl)-1h-Indole-2-Carboxylic Acid
CID 53346503
(2R)-{[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid
CID 7633451
5-chloro-3-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid
CID 3237041
5-chloro-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
CID 3237624
(R)-2-(7-(2-(4-chlorophenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
CID 54583707
{(7R)-7-[[(3-chloro-4-fluorophenyl)acetyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
CID 54587621
5-Chloro-1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 56664904
5-chloro-1-[(2,4-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 56678986
2-[1-(4-Chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid
CID 67474725
1-[(3-Acetamidophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 56671826
3-{[(4-Chlorophenyl)(methyl)carbamoyl]methyl}-1-methyl-1H-indole-2-carboxylic acid
CID 15996589

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid?
The IUPAC name of 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid (CID 57216606) is 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid.
What is the SMILES notation for 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid?
The canonical SMILES for 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid is Cn1c2ccc(Cl)cc2c2c(C(=O)O)nn(-c3ccccc3)c(=O)c21.
What is the InChIKey of 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid?
The InChIKey is HJBZOFCKFSVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c1-21-13-8-7-10(19)9-12(13)14-15(18(24)25)20-22(17(23)16(14)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25).
What are the key properties of 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid?
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid has a molecular weight of 353.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid is sourced from PubChem (CID 57216606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).