6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine

C24H23N3O3 — CID 56984561

IUPAC6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(Oc4ccccc4)c3)c2cc1OCC
InChIInChI=1S/C24H23N3O3/c1-3-28-22-14-20-21(15-23(22)29-4-2)25-16-26-24(20)27-17-9-8-12-19(13-17)30-18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyWHGQKGGHOUGTQK-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.96
Rot. Bonds8

About 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine

6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine (PubChem CID 56984561) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
PubChem CID56984561
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(Oc4ccccc4)c3)c2cc1OCC
InChIInChI=1S/C24H23N3O3/c1-3-28-22-14-20-21(15-23(22)29-4-2)25-16-26-24(20)27-17-9-8-12-19(13-17)30-18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyWHGQKGGHOUGTQK-UHFFFAOYSA-N
XLogP5.96
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-diethoxy-N-(3-phenoxyphenyl)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-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
6,7-diethoxy-N-(3-quinolin-3-ylphenyl)quinazolin-4-amine
CID 57445232
6,7-diethoxy-N-[3-(1,3-oxazol-4-yl)phenyl]quinazolin-4-amine
CID 10172616
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 142857826
6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10216043
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
6,7-dimethyl-N-(3-naphthalen-1-yloxyphenyl)quinazolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 158638214
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine (CID 56984561) is 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(Oc4ccccc4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is WHGQKGGHOUGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-28-22-14-20-21(15-23(22)29-4-2)25-16-26-24(20)27-17-9-8-12-19(13-17)30-18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3,(H,25,26,27).
What are the key properties of 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine?
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 56984561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).