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

C21H20N4O3 — CID 10172616

IUPAC6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cocn4)c3)c2cc1OCC
InChIInChI=1S/C21H20N4O3/c1-3-27-19-9-16-17(10-20(19)28-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-26-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
InChIKeyIOCCYZUACQGGIM-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.83
Rot. Bonds7

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

6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10172616) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10172616
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cocn4)c3)c2cc1OCC
InChIInChI=1S/C21H20N4O3/c1-3-27-19-9-16-17(10-20(19)28-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-26-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
InChIKeyIOCCYZUACQGGIM-UHFFFAOYSA-N
XLogP4.83
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10216043
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
CID 57445232
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10310264
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10288575
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-propoxyquinazolin-4-amine
CID 154677809
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
7-ethoxy-N-(3-ethynylphenyl)-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 58896641

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine (CID 10172616) is 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4cocn4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is IOCCYZUACQGGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-27-19-9-16-17(10-20(19)28-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-26-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25).
What are the key properties of 6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 376.42 g/mol, XLogP of 4.83, 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-oxazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10172616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).