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

C24H23N3O3 — CID 15998641

IUPACN-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O3/c1-15-9-11-17(12-10-15)25-24-18-7-5-6-8-19(18)26-23(27-24)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14H,1-4H3,(H,25,26,27)
InChIKeySMRHGURAMRNJTP-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.37
Rot. Bonds6

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

N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 15998641) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID15998641
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O3/c1-15-9-11-17(12-10-15)25-24-18-7-5-6-8-19(18)26-23(27-24)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14H,1-4H3,(H,25,26,27)
InChIKeySMRHGURAMRNJTP-UHFFFAOYSA-N
XLogP5.37
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 15998641) is N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc(-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is SMRHGURAMRNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-9-11-17(12-10-15)25-24-18-7-5-6-8-19(18)26-23(27-24)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14H,1-4H3,(H,25,26,27).
What are the key properties of N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 15998641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).