2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C24H24N4 — CID 1185486

IUPAC2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCC(C)(C)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H24N4/c1-24(2,3)19-12-10-18(11-13-19)22-27-21-9-5-4-8-20(21)23(28-22)26-16-17-7-6-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,27,28)
InChIKeyRMAUGEQBABUQJD-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.60
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 1185486) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID1185486
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCC(C)(C)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H24N4/c1-24(2,3)19-12-10-18(11-13-19)22-27-21-9-5-4-8-20(21)23(28-22)26-16-17-7-6-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,27,28)
InChIKeyRMAUGEQBABUQJD-UHFFFAOYSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 1185486) is 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is CC(C)(C)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is RMAUGEQBABUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-24(2,3)19-12-10-18(11-13-19)22-27-21-9-5-4-8-20(21)23(28-22)26-16-17-7-6-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,27,28).
What are the key properties of 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 1185486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).