6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine

C25H25N3O2 — CID 11014847

IUPAC6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cccc(C)c4)c3)c2cc1OCC
InChIInChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-11-7-10-19(13-20)18-9-6-8-17(3)12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28)
InChIKeyFEANNKPAELZFMT-UHFFFAOYSA-N
MW399.49 g/mol
LogP6.15
Rot. Bonds7

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

6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine (PubChem CID 11014847) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
PubChem CID11014847
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4cccc(C)c4)c3)c2cc1OCC
InChIInChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-11-7-10-19(13-20)18-9-6-8-17(3)12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28)
InChIKeyFEANNKPAELZFMT-UHFFFAOYSA-N
XLogP6.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
6-ethoxy-7-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10216043
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
CID 54546578
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 163359995
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
6,7-diethoxy-2-methoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
CID 10310264
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine (CID 11014847) is 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4cccc(C)c4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine?
The InChIKey is FEANNKPAELZFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-11-7-10-19(13-20)18-9-6-8-17(3)12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28).
What are the key properties of 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine has a molecular weight of 399.49 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 11014847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).