2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid

C23H16N4O2 — CID 22000120

IUPAC2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C23H16N4O2/c28-23(29)18-4-2-1-3-17(18)14-5-7-21-19(12-14)22(26-13-25-21)27-16-6-8-20-15(11-16)9-10-24-20/h1-13,24H,(H,28,29)(H,25,26,27)
InChIKeyFVMRQVJLLDBOER-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.22
Rot. Bonds4

About 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid

2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid (PubChem CID 22000120) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
PubChem CID22000120
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C23H16N4O2/c28-23(29)18-4-2-1-3-17(18)14-5-7-21-19(12-14)22(26-13-25-21)27-16-6-8-20-15(11-16)9-10-24-20/h1-13,24H,(H,28,29)(H,25,26,27)
InChIKeyFVMRQVJLLDBOER-UHFFFAOYSA-N
XLogP5.22
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic 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

N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
4-[2-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-2-oxoethylidene]piperidine-1-carboxylic acid
CID 68981840
4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366722
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 59076984
N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide
CID 54172412
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N,6-diphenylquinazolin-4-amine
CID 86766666
6-(2-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3235342

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid?
The IUPAC name of 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid (CID 22000120) is 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid.
What is the SMILES notation for 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid?
The canonical SMILES for 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid is O=C(O)c1ccccc1-c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1.
What is the InChIKey of 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid?
The InChIKey is FVMRQVJLLDBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-23(29)18-4-2-1-3-17(18)14-5-7-21-19(12-14)22(26-13-25-21)27-16-6-8-20-15(11-16)9-10-24-20/h1-13,24H,(H,28,29)(H,25,26,27).
What are the key properties of 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid?
2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid has a molecular weight of 380.41 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid is sourced from PubChem (CID 22000120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).