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

C21H20N4O2S — CID 10287402

IUPAC6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cscn4)c3)c2cc1OCC
InChIInChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
InChIKeyHLIBFQDRDMBHNC-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.29
Rot. Bonds7

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

6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10287402) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10287402
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cscn4)c3)c2cc1OCC
InChIInChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
InChIKeyHLIBFQDRDMBHNC-UHFFFAOYSA-N
XLogP5.29
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Erlotinib
CID 176870
Erlotinib Hydrochloride
CID 176871
Icotinib
CID 22024915
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
Src Kinase Inhibitor I
CID 1474853
CP-373413
CID 16045730
6,7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine
CID 5328202
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
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10287402) is 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4cscn4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is HLIBFQDRDMBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25).
What are the key properties of 6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 392.48 g/mol, XLogP of 5.29, 7 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-(1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10287402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).