6,8-diamino-2-(4-methoxyphenyl)chromen-4-one

C16H14N2O3 — CID 139992876

IUPAC6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(N)cc(N)c3o2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-11-4-2-9(3-5-11)15-8-14(19)12-6-10(17)7-13(18)16(12)21-15/h2-8H,17-18H2,1H3
InChIKeyDCNZSTGEFLFYBY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.63
Rot. Bonds2

About 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one

6,8-diamino-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 139992876) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
PubChem CID139992876
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(N)cc(N)c3o2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-11-4-2-9(3-5-11)15-8-14(19)12-6-10(17)7-13(18)16(12)21-15/h2-8H,17-18H2,1H3
InChIKeyDCNZSTGEFLFYBY-UHFFFAOYSA-N
XLogP2.63
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,8-difluoro-2-(4-methoxyphenyl)chromen-4-one
CID 171716334
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
8-methoxy-2-(4-methoxyphenyl)-6-(4-methyl-1H-pyrrol-2-yl)chromen-4-one
CID 171390778
2-(4-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 53487406
8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931

Frequently Asked Questions

What is the IUPAC name of 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one (CID 139992876) is 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3cc(N)cc(N)c3o2)cc1.
What is the InChIKey of 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is DCNZSTGEFLFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-11-4-2-9(3-5-11)15-8-14(19)12-6-10(17)7-13(18)16(12)21-15/h2-8H,17-18H2,1H3.
What are the key properties of 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one?
6,8-diamino-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diamino-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 139992876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).