5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one

C16H13FN2O2 — CID 10731744

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one
SMILESCc1ccc(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc12
InChIInChI=1S/C16H13FN2O2/c1-8-2-4-12(19)15-13(20)7-14(21-16(8)15)9-3-5-11(18)10(17)6-9/h2-7H,18-19H2,1H3
InChIKeyBQXXVXBSIKNARE-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.07
Rot. Bonds1

About 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one

5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one (PubChem CID 10731744) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one
PubChem CID10731744
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one
SMILESCc1ccc(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc12
InChIInChI=1S/C16H13FN2O2/c1-8-2-4-12(19)15-13(20)7-14(21-16(8)15)9-3-5-11(18)10(17)6-9/h2-7H,18-19H2,1H3
InChIKeyBQXXVXBSIKNARE-UHFFFAOYSA-N
XLogP3.07
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one (CID 10731744) is 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one is Cc1ccc(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc12.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one?
The InChIKey is BQXXVXBSIKNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-8-2-4-12(19)15-13(20)7-14(21-16(8)15)9-3-5-11(18)10(17)6-9/h2-7H,18-19H2,1H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one is sourced from PubChem (CID 10731744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).