5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one

C17H15FN2O2 — CID 10709180

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2oc(-c3ccc(N)c(F)c3)cc(=O)c2c1N
InChIInChI=1S/C17H15FN2O2/c1-8-5-9(2)17-15(16(8)20)13(21)7-14(22-17)10-3-4-12(19)11(18)6-10/h3-7H,19-20H2,1-2H3
InChIKeyRCRFSVFWIUJZBL-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.38
Rot. Bonds1

About 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one

5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one (PubChem CID 10709180) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one
PubChem CID10709180
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2oc(-c3ccc(N)c(F)c3)cc(=O)c2c1N
InChIInChI=1S/C17H15FN2O2/c1-8-5-9(2)17-15(16(8)20)13(21)7-14(22-17)10-3-4-12(19)11(18)6-10/h3-7H,19-20H2,1-2H3
InChIKeyRCRFSVFWIUJZBL-UHFFFAOYSA-N
XLogP3.38
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.38
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

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-Methyl-5-nitro-2-(3-nitrophenyl)chromen-4-one
CID 10711211
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(1-hexanoyloxymethyl)-4H-1-benzopyran-4-one
CID 10365608
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one
CID 10497067
5-Amino-2-(4-amino-3-fluorophenyl)-7-azido-6,8-difluorochromen-4-one
CID 10497825
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one
CID 10521804
7-Acetoxymethyl-5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10523682

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one (CID 10709180) is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one is Cc1cc(C)c2oc(-c3ccc(N)c(F)c3)cc(=O)c2c1N.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one?
The InChIKey is RCRFSVFWIUJZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-8-5-9(2)17-15(16(8)20)13(21)7-14(22-17)10-3-4-12(19)11(18)6-10/h3-7H,19-20H2,1-2H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one has a molecular weight of 298.32 g/mol, XLogP of 3.38, 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)-6,8-dimethylchromen-4-one is sourced from PubChem (CID 10709180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).