(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone

C16H14N2O2 — CID 142886365

IUPAC(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone
SMILESCc1cn(C(=O)c2ccccc2O)c2ccc(N)cc12
InChIInChI=1S/C16H14N2O2/c1-10-9-18(14-7-6-11(17)8-13(10)14)16(20)12-4-2-3-5-15(12)19/h2-9,19H,17H2,1H3
InChIKeyQPRQYPGYBNVBJA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds1

About (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone

(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 142886365) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID142886365
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone
SMILESCc1cn(C(=O)c2ccccc2O)c2ccc(N)cc12
InChIInChI=1S/C16H14N2O2/c1-10-9-18(14-7-6-11(17)8-13(10)14)16(20)12-4-2-3-5-15(12)19/h2-9,19H,17H2,1H3
InChIKeyQPRQYPGYBNVBJA-UHFFFAOYSA-N
XLogP2.93
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methylindol-1-yl)-(2-methylphenyl)methanone
CID 101389123
(2-iodophenyl)-(3-methylindol-1-yl)methanone
CID 72942182
1-(2-methylbenzoyl)indole-3-carbaldehyde
CID 82122132
benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
(5-amino-2-methylindol-1-yl)-(1-methylindol-4-yl)methanone
CID 112526246
7-amino-2,4-dimethylisoquinolin-1-one
CID 115063555
9-hydroxycarbazole-3,6-diamine
CID 130354547
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone
CID 112526900
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone (CID 142886365) is (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone is Cc1cn(C(=O)c2ccccc2O)c2ccc(N)cc12.
What is the InChIKey of (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is QPRQYPGYBNVBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-9-18(14-7-6-11(17)8-13(10)14)16(20)12-4-2-3-5-15(12)19/h2-9,19H,17H2,1H3.
What are the key properties of (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone?
(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 266.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 142886365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).