2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine

C15H14FN3S — CID 79975310

IUPAC2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCCc1ccsc1-c1nc(NC)c2ccc(F)cc2n1
InChIInChI=1S/C15H14FN3S/c1-3-9-6-7-20-13(9)15-18-12-8-10(16)4-5-11(12)14(17-2)19-15/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyDHTIWEKIKZVERU-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.10
Rot. Bonds3

About 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine

2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine (PubChem CID 79975310) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
PubChem CID79975310
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCCc1ccsc1-c1nc(NC)c2ccc(F)cc2n1
InChIInChI=1S/C15H14FN3S/c1-3-9-6-7-20-13(9)15-18-12-8-10(16)4-5-11(12)14(17-2)19-15/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyDHTIWEKIKZVERU-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235425
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
(4-Methylthio-phenyl)-(2-methyl-quinazolin-4-yl)-methylamine
CID 11580217
N-tert-butyl-6-(thiophen-3-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330918
3-(2-Thienyl)-2-quinolinamine
CID 1480775
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
6-Butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9900478
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine (CID 79975310) is 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine is CCc1ccsc1-c1nc(NC)c2ccc(F)cc2n1.
What is the InChIKey of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
The InChIKey is DHTIWEKIKZVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-3-9-6-7-20-13(9)15-18-12-8-10(16)4-5-11(12)14(17-2)19-15/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 79975310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).