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

C24H26N4O2S — CID 10127271

IUPAC6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(CC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C24H26N4O2S/c1-5-23-27-19-13-22(30-7-3)21(29-6-2)12-18(19)24(28-23)26-17-10-8-9-16(11-17)20-14-31-15(4)25-20/h8-14H,5-7H2,1-4H3,(H,26,27,28)
InChIKeyJXZOGXXITGINEQ-UHFFFAOYSA-N
MW434.57 g/mol
LogP6.17
Rot. Bonds8

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

6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10127271) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10127271
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(CC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C24H26N4O2S/c1-5-23-27-19-13-22(30-7-3)21(29-6-2)12-18(19)24(28-23)26-17-10-8-9-16(11-17)20-14-31-15(4)25-20/h8-14H,5-7H2,1-4H3,(H,26,27,28)
InChIKeyJXZOGXXITGINEQ-UHFFFAOYSA-N
XLogP6.17
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10127271) is 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2nc(CC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is JXZOGXXITGINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-5-23-27-19-13-22(30-7-3)21(29-6-2)12-18(19)24(28-23)26-17-10-8-9-16(11-17)20-14-31-15(4)25-20/h8-14H,5-7H2,1-4H3,(H,26,27,28).
What are the key properties of 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 434.57 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-ethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10127271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).