5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one

C15H12N2O3 — CID 54435268

IUPAC5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1O
InChIInChI=1S/C15H12N2O3/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,18H,16-17H2
InChIKeyWKHDTUIIWGUIGK-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.33
Rot. Bonds1

About 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one

5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one (PubChem CID 54435268) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
PubChem CID54435268
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1O
InChIInChI=1S/C15H12N2O3/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,18H,16-17H2
InChIKeyWKHDTUIIWGUIGK-UHFFFAOYSA-N
XLogP2.33
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3,5-dihydroxyphenyl)chromen-4-one
CID 14885021
4-(5-amino-4-oxochromen-2-yl)benzoic acid
CID 10636519
5-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 10564703
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
2-(3-amino-4-hydroxyphenyl)chromen-4-one
CID 10422373
CID 172853606
CID 172853606
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
N-[2-(5-amino-4-oxochromen-2-yl)phenyl]acetamide
CID 70365465
2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
CID 71421837
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5,6-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one
CID 172994187
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one (CID 54435268) is 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1O.
What is the InChIKey of 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one?
The InChIKey is WKHDTUIIWGUIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,18H,16-17H2.
What are the key properties of 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one?
5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 54435268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).