(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone

C15H14N2O3 — CID 107721480

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H14N2O3/c16-12-2-1-3-13-10(12)6-7-17(13)15(20)11-8-9(18)4-5-14(11)19/h1-5,8,18-19H,6-7,16H2
InChIKeyOMIICXMHGFDRLV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.88
Rot. Bonds1

About (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone (PubChem CID 107721480) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
PubChem CID107721480
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H14N2O3/c16-12-2-1-3-13-10(12)6-7-17(13)15(20)11-8-9(18)4-5-14(11)19/h1-5,8,18-19H,6-7,16H2
InChIKeyOMIICXMHGFDRLV-UHFFFAOYSA-N
XLogP1.88
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107013248
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107723234
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850612
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,5-dihydroxyphenyl)methanone
CID 107723594
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 80537259
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107725080

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone (CID 107721480) is (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone is Nc1cccc2c1CCN2C(=O)c1cc(O)ccc1O.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone?
The InChIKey is OMIICXMHGFDRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-12-2-1-3-13-10(12)6-7-17(13)15(20)11-8-9(18)4-5-14(11)19/h1-5,8,18-19H,6-7,16H2.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone has a molecular weight of 270.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107721480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).