N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine

C24H24N4O2S — CID 10173483

IUPACN-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(C5CC5)n4)c3)c2cc1OCC
InChIInChI=1S/C24H24N4O2S/c1-3-29-21-11-18-19(12-22(21)30-4-2)25-14-26-23(18)27-17-7-5-6-16(10-17)20-13-31-24(28-20)15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,25,26,27)
InChIKeyKJDHIZITJXZCHR-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.17
Rot. Bonds8

About N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine

N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine (PubChem CID 10173483) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine
PubChem CID10173483
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(C5CC5)n4)c3)c2cc1OCC
InChIInChI=1S/C24H24N4O2S/c1-3-29-21-11-18-19(12-22(21)30-4-2)25-14-26-23(18)27-17-7-5-6-16(10-17)20-13-31-24(28-20)15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,25,26,27)
InChIKeyKJDHIZITJXZCHR-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 ≤ 500432.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine with MolForge

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Related Compounds

Erlotinib
CID 176870
Erlotinib Hydrochloride
CID 176871
Icotinib
CID 22024915
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
Src Kinase Inhibitor I
CID 1474853
Bay-293
CID 137322663
N-(3-fluorophenyl)-2-{2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
CID 9916282
4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-amine
CID 5329023
6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 121499159
2-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxy-4-quinazolinyl]amino]-N-(3-fluorophenyl)-5-thiazoleacetamide
CID 11504974

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine?
The IUPAC name of N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine (CID 10173483) is N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine.
What is the SMILES notation for N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine?
The canonical SMILES for N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4csc(C5CC5)n4)c3)c2cc1OCC.
What is the InChIKey of N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine?
The InChIKey is KJDHIZITJXZCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-3-29-21-11-18-19(12-22(21)30-4-2)25-14-26-23(18)27-17-7-5-6-16(10-17)20-13-31-24(28-20)15-8-9-15/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,25,26,27).
What are the key properties of N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine?
N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine has a molecular weight of 432.55 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 N-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-6,7-diethoxyquinazolin-4-amine is sourced from PubChem (CID 10173483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).