5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one

C11H13FN2O2 — CID 170345383

IUPAC5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one
SMILESCNC1COc2c(C)c(F)cc(N)c2C1=O
InChIInChI=1S/C11H13FN2O2/c1-5-6(12)3-7(13)9-10(15)8(14-2)4-16-11(5)9/h3,8,14H,4,13H2,1-2H3
InChIKeyRHSCSTCQFUYZEF-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.88
Rot. Bonds1

About 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one

5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one (PubChem CID 170345383) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one
PubChem CID170345383
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one
SMILESCNC1COc2c(C)c(F)cc(N)c2C1=O
InChIInChI=1S/C11H13FN2O2/c1-5-6(12)3-7(13)9-10(15)8(14-2)4-16-11(5)9/h3,8,14H,4,13H2,1-2H3
InChIKeyRHSCSTCQFUYZEF-UHFFFAOYSA-N
XLogP0.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.88
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)-8-methylchromen-4-one
CID 10731744
5-Amino-8-methyl-4-chromanone
CID 5124163
5-Amino-2-(4-amino-3-fluorophenyl)-7-[2-(dimethylamino)ethoxymethyl]-6,8-difluorochromen-4-one
CID 10597513
5-Amino-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one
CID 339356
Ethyl 2-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluoroanilino]acetate
CID 15347003
Ethyl 2-[4-[6,8-difluoro-5-(hexylamino)-4-oxochromen-2-yl]-2-fluoroanilino]acetate
CID 15347015
6-fluoro-5-(2-methoxyethoxy)-1H-quinolin-4-one
CID 17976326
5-Amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one
CID 19434791
2-(4-Amino-3-fluorophenyl)-6,8-difluoro-5-(3-morpholin-4-ylpropylamino)chromen-4-one
CID 19434829
6,8-Difluoro-2-[3-fluoro-4-(methylamino)phenyl]-5-(3-methoxypropylamino)chromen-4-one
CID 19434830
5-Amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholinohexylamino)phenyl]-4H-1-benzopyran-4-one
CID 19434912
Methyl 2-[[2-[[5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4-oxochromen-7-yl]methoxy]-2-oxoethyl]amino]acetate
CID 19434915

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one?
The IUPAC name of 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one (CID 170345383) is 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one is CNC1COc2c(C)c(F)cc(N)c2C1=O.
What is the InChIKey of 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one?
The InChIKey is RHSCSTCQFUYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-5-6(12)3-7(13)9-10(15)8(14-2)4-16-11(5)9/h3,8,14H,4,13H2,1-2H3.
What are the key properties of 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one?
5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one has a molecular weight of 224.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-fluoro-8-methyl-3-(methylamino)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 170345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).