7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine

C13H10FN3OS — CID 81129099

IUPAC7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine
SMILESCOc1ccsc1-c1nc(N)c2ccc(F)cc2n1
InChIInChI=1S/C13H10FN3OS/c1-18-10-4-5-19-11(10)13-16-9-6-7(14)2-3-8(9)12(15)17-13/h2-6H,1H3,(H2,15,16,17)
InChIKeyIYSHHCXVVOQMMW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.09
Rot. Bonds2

About 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine

7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine (PubChem CID 81129099) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine
PubChem CID81129099
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine
SMILESCOc1ccsc1-c1nc(N)c2ccc(F)cc2n1
InChIInChI=1S/C13H10FN3OS/c1-18-10-4-5-19-11(10)13-16-9-6-7(14)2-3-8(9)12(15)17-13/h2-6H,1H3,(H2,15,16,17)
InChIKeyIYSHHCXVVOQMMW-UHFFFAOYSA-N
XLogP3.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine
CID 65434083
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
4-chloro-2-(3-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589452
7-fluoro-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine
CID 64983595
7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine
CID 64983363
7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
CID 64983694
2-(2,5-dimethylphenyl)-7-fluoroquinazolin-4-amine
CID 64983880
7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine
CID 79755415
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658
2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
CID 79975310
2-(2-chlorophenyl)-7-fluoroquinazolin-4-amine
CID 64983741

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine (CID 81129099) is 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine is COc1ccsc1-c1nc(N)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine?
The InChIKey is IYSHHCXVVOQMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-18-10-4-5-19-11(10)13-16-9-6-7(14)2-3-8(9)12(15)17-13/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine?
7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 81129099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).