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

C25H25N3O3 — CID 22330312

IUPACN-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O3/c1-15-10-11-18(12-16(15)2)26-25-19-8-6-7-9-20(19)27-24(28-25)17-13-21(29-3)23(31-5)22(14-17)30-4/h6-14H,1-5H3,(H,26,27,28)
InChIKeyLTQNHCYYPNPXLN-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.68
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 22330312) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID22330312
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O3/c1-15-10-11-18(12-16(15)2)26-25-19-8-6-7-9-20(19)27-24(28-25)17-13-21(29-3)23(31-5)22(14-17)30-4/h6-14H,1-5H3,(H,26,27,28)
InChIKeyLTQNHCYYPNPXLN-UHFFFAOYSA-N
XLogP5.68
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 22330312) is N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is LTQNHCYYPNPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-15-10-11-18(12-16(15)2)26-25-19-8-6-7-9-20(19)27-24(28-25)17-13-21(29-3)23(31-5)22(14-17)30-4/h6-14H,1-5H3,(H,26,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 415.49 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 22330312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).