6-amino-2-(4-aminophenyl)-3-methylchromen-4-one

C16H14N2O2 — CID 139992819

IUPAC6-amino-2-(4-aminophenyl)-3-methylchromen-4-one
SMILESCc1c(-c2ccc(N)cc2)oc2ccc(N)cc2c1=O
InChIInChI=1S/C16H14N2O2/c1-9-15(19)13-8-12(18)6-7-14(13)20-16(9)10-2-4-11(17)5-3-10/h2-8H,17-18H2,1H3
InChIKeyUVJRHIPCDJJLJR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds1

About 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one

6-amino-2-(4-aminophenyl)-3-methylchromen-4-one (PubChem CID 139992819) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one.

Molecular Properties

Compound Name6-amino-2-(4-aminophenyl)-3-methylchromen-4-one
PubChem CID139992819
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-amino-2-(4-aminophenyl)-3-methylchromen-4-one
SMILESCc1c(-c2ccc(N)cc2)oc2ccc(N)cc2c1=O
InChIInChI=1S/C16H14N2O2/c1-9-15(19)13-8-12(18)6-7-14(13)20-16(9)10-2-4-11(17)5-3-10/h2-8H,17-18H2,1H3
InChIKeyUVJRHIPCDJJLJR-UHFFFAOYSA-N
XLogP2.93
TPSA82.25 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

2-[3,5-bis(4-aminophenoxy)phenyl]-6-fluoro-3-methylchromen-4-one
CID 139992892
3-amino-2-(4-aminophenyl)chromen-4-one
CID 10562758
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one
CID 27708
2-[3,5-bis(4-aminophenoxy)phenyl]-7-methoxy-3-methylchromen-4-one
CID 139992545
diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride
CID 27704
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54127512
[4-(7-methoxy-3-methyl-4-oxochromen-2-yl)phenyl] 3,5-diaminobenzoate
CID 139992676
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371
2-(4-chloro-3-nitrophenyl)-6-fluoro-3-methylchromen-4-one
CID 2410124
6-(4-bromobutoxy)-3-methyl-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 139992522

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one?
The IUPAC name of 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one (CID 139992819) is 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one.
What is the SMILES notation for 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one?
The canonical SMILES for 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one is Cc1c(-c2ccc(N)cc2)oc2ccc(N)cc2c1=O.
What is the InChIKey of 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one?
The InChIKey is UVJRHIPCDJJLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-15(19)13-8-12(18)6-7-14(13)20-16(9)10-2-4-11(17)5-3-10/h2-8H,17-18H2,1H3.
What are the key properties of 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one?
6-amino-2-(4-aminophenyl)-3-methylchromen-4-one 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 6-amino-2-(4-aminophenyl)-3-methylchromen-4-one is sourced from PubChem (CID 139992819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).