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

C23H24N4O3S — CID 10310264

IUPAC6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(OC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C23H24N4O3S/c1-5-29-20-11-17-18(12-21(20)30-6-2)26-23(28-4)27-22(17)25-16-9-7-8-15(10-16)19-13-31-14(3)24-19/h7-13H,5-6H2,1-4H3,(H,25,26,27)
InChIKeyARGCWKMNCASRJE-UHFFFAOYSA-N
MW436.54 g/mol
LogP5.61
Rot. Bonds8

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

6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10310264) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10310264
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(OC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C23H24N4O3S/c1-5-29-20-11-17-18(12-21(20)30-6-2)26-23(28-4)27-22(17)25-16-9-7-8-15(10-16)19-13-31-14(3)24-19/h7-13H,5-6H2,1-4H3,(H,25,26,27)
InChIKeyARGCWKMNCASRJE-UHFFFAOYSA-N
XLogP5.61
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10216043
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-[2-fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10002470
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
CID 10172616
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
CID 57445232
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10310264) is 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2nc(OC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is ARGCWKMNCASRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-5-29-20-11-17-18(12-21(20)30-6-2)26-23(28-4)27-22(17)25-16-9-7-8-15(10-16)19-13-31-14(3)24-19/h7-13H,5-6H2,1-4H3,(H,25,26,27).
What are the key properties of 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 436.54 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10310264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).