2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine

C24H23N3O2 — CID 22330512

IUPAC2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H23N3O2/c1-15-11-16(2)13-18(12-15)25-24-19-7-5-6-8-20(19)26-23(27-24)17-9-10-21(28-3)22(14-17)29-4/h5-14H,1-4H3,(H,25,26,27)
InChIKeyXAQVJOKZVUPLNS-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.67
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine

2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine (PubChem CID 22330512) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
PubChem CID22330512
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H23N3O2/c1-15-11-16(2)13-18(12-15)25-24-19-7-5-6-8-20(19)26-23(27-24)17-9-10-21(28-3)22(14-17)29-4/h5-14H,1-4H3,(H,25,26,27)
InChIKeyXAQVJOKZVUPLNS-UHFFFAOYSA-N
XLogP5.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine (CID 22330512) is 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine is COc1ccc(-c2nc(Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine?
The InChIKey is XAQVJOKZVUPLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-11-16(2)13-18(12-15)25-24-19-7-5-6-8-20(19)26-23(27-24)17-9-10-21(28-3)22(14-17)29-4/h5-14H,1-4H3,(H,25,26,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine?
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine is sourced from PubChem (CID 22330512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).