6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

C22H21FN4O2S — CID 10216557

IUPAC6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3ccc(F)c(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C22H21FN4O2S/c1-4-28-20-9-16-18(10-21(20)29-5-2)24-12-25-22(16)27-14-6-7-17(23)15(8-14)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyNRHQPXPAVNZKEJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.74
Rot. Bonds7

About 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10216557) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10216557
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3ccc(F)c(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C22H21FN4O2S/c1-4-28-20-9-16-18(10-21(20)29-5-2)24-12-25-22(16)27-14-6-7-17(23)15(8-14)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyNRHQPXPAVNZKEJ-UHFFFAOYSA-N
XLogP5.74
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10216557) is 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3ccc(F)c(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is NRHQPXPAVNZKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-4-28-20-9-16-18(10-21(20)29-5-2)24-12-25-22(16)27-14-6-7-17(23)15(8-14)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27).
What are the key properties of 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 424.50 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10216557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).