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

C21H20N4O2S — CID 10216043

IUPAC6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC
InChIInChI=1S/C21H20N4O2S/c1-4-27-20-9-16-17(10-19(20)26-3)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13(2)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
InChIKeyJDBVYCFGMWMNEC-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.21
Rot. Bonds6

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

6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10216043) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10216043
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC
InChIInChI=1S/C21H20N4O2S/c1-4-27-20-9-16-17(10-19(20)26-3)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13(2)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
InChIKeyJDBVYCFGMWMNEC-UHFFFAOYSA-N
XLogP5.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-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

Related Compounds

6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10310264
2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10288575
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
6,7-diethoxy-N-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10002470
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
CID 10172616
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
CID 57445232
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
CID 145016681
ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
CID 54546578

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10216043) is 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC.
What is the InChIKey of 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is JDBVYCFGMWMNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-4-27-20-9-16-17(10-19(20)26-3)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13(2)24-18/h5-12H,4H2,1-3H3,(H,22,23,25).
What are the key properties of 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 392.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10216043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).