4-amino-2-phenyl-1H-indole-7-carboxylic acid

C15H12N2O2 — CID 82382329

IUPAC4-amino-2-phenyl-1H-indole-7-carboxylic acid
SMILESNc1ccc(C(=O)O)c2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C15H12N2O2/c16-12-7-6-10(15(18)19)14-11(12)8-13(17-14)9-4-2-1-3-5-9/h1-8,17H,16H2,(H,18,19)
InChIKeyIHYDMSZDGNXDBE-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.12
Rot. Bonds2

About 4-amino-2-phenyl-1H-indole-7-carboxylic acid

4-amino-2-phenyl-1H-indole-7-carboxylic acid (PubChem CID 82382329) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-2-phenyl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-phenyl-1H-indole-7-carboxylic acid
PubChem CID82382329
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-amino-2-phenyl-1H-indole-7-carboxylic acid
SMILESNc1ccc(C(=O)O)c2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C15H12N2O2/c16-12-7-6-10(15(18)19)14-11(12)8-13(17-14)9-4-2-1-3-5-9/h1-8,17H,16H2,(H,18,19)
InChIKeyIHYDMSZDGNXDBE-UHFFFAOYSA-N
XLogP3.12
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 86280871
1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone
CID 23402126
4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
CID 164666039
3-amino-6-phenyl-1H-pyridin-2-one
CID 22405493
2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 82081108
7-fluoro-2-(4-fluorophenyl)-1H-indol-4-amine
CID 82385922
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82364972
5-phenoxy-2-phenyl-1H-indol-7-amine
CID 173108757
2-oxo-6-phenyl-1H-pyridine-4-carboxylic acid
CID 18422120
2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
CID 70131440
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenyl-1H-indole-7-carboxylic acid?
The IUPAC name of 4-amino-2-phenyl-1H-indole-7-carboxylic acid (CID 82382329) is 4-amino-2-phenyl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 4-amino-2-phenyl-1H-indole-7-carboxylic acid?
The canonical SMILES for 4-amino-2-phenyl-1H-indole-7-carboxylic acid is Nc1ccc(C(=O)O)c2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 4-amino-2-phenyl-1H-indole-7-carboxylic acid?
The InChIKey is IHYDMSZDGNXDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-12-7-6-10(15(18)19)14-11(12)8-13(17-14)9-4-2-1-3-5-9/h1-8,17H,16H2,(H,18,19).
What are the key properties of 4-amino-2-phenyl-1H-indole-7-carboxylic acid?
4-amino-2-phenyl-1H-indole-7-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 82382329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).