N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine

C23H21N3O — CID 20963225

IUPACN-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O/c1-15-8-11-18(14-16(15)2)24-23-20-6-4-5-7-21(20)25-22(26-23)17-9-12-19(27-3)13-10-17/h4-14H,1-3H3,(H,24,25,26)
InChIKeyOWULHXWZWFYWBU-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.67
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 20963225) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID20963225
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O/c1-15-8-11-18(14-16(15)2)24-23-20-6-4-5-7-21(20)25-22(26-23)17-9-12-19(27-3)13-10-17/h4-14H,1-3H3,(H,24,25,26)
InChIKeyOWULHXWZWFYWBU-UHFFFAOYSA-N
XLogP5.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine (CID 20963225) is N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is OWULHXWZWFYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-8-11-18(14-16(15)2)24-23-20-6-4-5-7-21(20)25-22(26-23)17-9-12-19(27-3)13-10-17/h4-14H,1-3H3,(H,24,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 20963225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).