6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine

C23H24N4O2S — CID 10173309

IUPAC6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine
SMILESCCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C23H24N4O2S/c1-4-9-29-22-12-19-18(11-21(22)28-5-2)23(25-14-24-19)27-17-8-6-7-16(10-17)20-13-30-15(3)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27)
InChIKeyOKLQGXLTHJASKY-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.99
Rot. Bonds8

About 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine

6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine (PubChem CID 10173309) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine
PubChem CID10173309
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine
SMILESCCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C23H24N4O2S/c1-4-9-29-22-12-19-18(11-21(22)28-5-2)23(25-14-24-19)27-17-8-6-7-16(10-17)20-13-30-15(3)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27)
InChIKeyOKLQGXLTHJASKY-UHFFFAOYSA-N
XLogP5.99
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine?
The IUPAC name of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine (CID 10173309) is 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine?
The canonical SMILES for 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine is CCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine?
The InChIKey is OKLQGXLTHJASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-4-9-29-22-12-19-18(11-21(22)28-5-2)23(25-14-24-19)27-17-8-6-7-16(10-17)20-13-30-15(3)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27).
What are the key properties of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine?
6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine is sourced from PubChem (CID 10173309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).