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

C23H24N4O2S — CID 10136935

IUPAC6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine
SMILESCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC(C)C
InChIInChI=1S/C23H24N4O2S/c1-5-28-21-10-18-19(11-22(21)29-14(2)3)24-13-25-23(18)27-17-8-6-7-16(9-17)20-12-30-15(4)26-20/h6-14H,5H2,1-4H3,(H,24,25,27)
InChIKeyGRONMHVDAUBCOX-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.99
Rot. Bonds7

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

6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine (PubChem CID 10136935) 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-propan-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine
PubChem CID10136935
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine
SMILESCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC(C)C
InChIInChI=1S/C23H24N4O2S/c1-5-28-21-10-18-19(11-22(21)29-14(2)3)24-13-25-23(18)27-17-8-6-7-16(9-17)20-12-30-15(4)26-20/h6-14H,5H2,1-4H3,(H,24,25,27)
InChIKeyGRONMHVDAUBCOX-UHFFFAOYSA-N
XLogP5.99
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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-propan-2-yloxyquinazolin-4-amine?
The IUPAC name of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine (CID 10136935) is 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine?
The canonical SMILES for 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine is CCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC(C)C.
What is the InChIKey of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine?
The InChIKey is GRONMHVDAUBCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-28-21-10-18-19(11-22(21)29-14(2)3)24-13-25-23(18)27-17-8-6-7-16(9-17)20-12-30-15(4)26-20/h6-14H,5H2,1-4H3,(H,24,25,27).
What are the key properties of 6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine?
6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propan-2-yloxyquinazolin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 5.99, 7 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-propan-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 10136935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).