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

C25H28N4O2S — CID 10127495

IUPAC6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine
SMILESCCCc1nc(Nc2cccc(-c3csc(C)n3)c2)c2cc(OCC)c(OCC)cc2n1
InChIInChI=1S/C25H28N4O2S/c1-5-9-24-28-20-14-23(31-7-3)22(30-6-2)13-19(20)25(29-24)27-18-11-8-10-17(12-18)21-15-32-16(4)26-21/h8,10-15H,5-7,9H2,1-4H3,(H,27,28,29)
InChIKeyPXCLDPNPNKAPIJ-UHFFFAOYSA-N
MW448.59 g/mol
LogP6.56
Rot. Bonds9

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

6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine (PubChem CID 10127495) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine
PubChem CID10127495
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine
SMILESCCCc1nc(Nc2cccc(-c3csc(C)n3)c2)c2cc(OCC)c(OCC)cc2n1
InChIInChI=1S/C25H28N4O2S/c1-5-9-24-28-20-14-23(31-7-3)22(30-6-2)13-19(20)25(29-24)27-18-11-8-10-17(12-18)21-15-32-16(4)26-21/h8,10-15H,5-7,9H2,1-4H3,(H,27,28,29)
InChIKeyPXCLDPNPNKAPIJ-UHFFFAOYSA-N
XLogP6.56
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine (CID 10127495) is 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine is CCCc1nc(Nc2cccc(-c3csc(C)n3)c2)c2cc(OCC)c(OCC)cc2n1.
What is the InChIKey of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine?
The InChIKey is PXCLDPNPNKAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-5-9-24-28-20-14-23(31-7-3)22(30-6-2)13-19(20)25(29-24)27-18-11-8-10-17(12-18)21-15-32-16(4)26-21/h8,10-15H,5-7,9H2,1-4H3,(H,27,28,29).
What are the key properties of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine?
6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine has a molecular weight of 448.59 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propylquinazolin-4-amine is sourced from PubChem (CID 10127495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).