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

C25H28N4O2S — CID 10238429

IUPAC6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine
SMILESCCOc1cc2nc(C(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C25H28N4O2S/c1-6-30-22-12-19-20(13-23(22)31-7-2)28-24(15(3)4)29-25(19)27-18-10-8-9-17(11-18)21-14-32-16(5)26-21/h8-15H,6-7H2,1-5H3,(H,27,28,29)
InChIKeyQCCLOAGASFLPHC-UHFFFAOYSA-N
MW448.59 g/mol
LogP6.73
Rot. Bonds8

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

6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine (PubChem CID 10238429) 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-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine
PubChem CID10238429
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-propan-2-ylquinazolin-4-amine
SMILESCCOc1cc2nc(C(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C25H28N4O2S/c1-6-30-22-12-19-20(13-23(22)31-7-2)28-24(15(3)4)29-25(19)27-18-10-8-9-17(11-18)21-14-32-16(5)26-21/h8-15H,6-7H2,1-5H3,(H,27,28,29)
InChIKeyQCCLOAGASFLPHC-UHFFFAOYSA-N
XLogP6.73
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine (CID 10238429) is 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine is CCOc1cc2nc(C(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine?
The InChIKey is QCCLOAGASFLPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-6-30-22-12-19-20(13-23(22)31-7-2)28-24(15(3)4)29-25(19)27-18-10-8-9-17(11-18)21-14-32-16(5)26-21/h8-15H,6-7H2,1-5H3,(H,27,28,29).
What are the key properties of 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine?
6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-propan-2-ylquinazolin-4-amine has a molecular weight of 448.59 g/mol, XLogP of 6.73, 8 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-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 10238429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).