6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine

C23H21N3O3 — CID 121499159

IUPAC6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
InChIInChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChIKeyPEKZLFZZBGBOPJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.49
Rot. Bonds6

About 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine

6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 121499159) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
PubChem CID121499159
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
InChIInChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChIKeyPEKZLFZZBGBOPJ-UHFFFAOYSA-N
XLogP5.49
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine (CID 121499159) is 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is PEKZLFZZBGBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26).
What are the key properties of 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 387.44 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 121499159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).