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

C22H22N4O3S — CID 10194648

IUPAC6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(OC)n4)c3)c2cc1OCC
InChIInChI=1S/C22H22N4O3S/c1-4-28-19-10-16-17(11-20(19)29-5-2)23-13-24-21(16)25-15-8-6-7-14(9-15)18-12-30-22(26-18)27-3/h6-13H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyDYNOAULOHCRWEU-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.30
Rot. Bonds8

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

6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10194648) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10194648
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(OC)n4)c3)c2cc1OCC
InChIInChI=1S/C22H22N4O3S/c1-4-28-19-10-16-17(11-20(19)29-5-2)23-13-24-21(16)25-15-8-6-7-14(9-15)18-12-30-22(26-18)27-3/h6-13H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyDYNOAULOHCRWEU-UHFFFAOYSA-N
XLogP5.30
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10194648) is 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4csc(OC)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is DYNOAULOHCRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-4-28-19-10-16-17(11-20(19)29-5-2)23-13-24-21(16)25-15-8-6-7-14(9-15)18-12-30-22(26-18)27-3/h6-13H,4-5H2,1-3H3,(H,23,24,25).
What are the key properties of 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 422.51 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10194648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).