4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline

C19H20N2 — CID 138464518

IUPAC4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
SMILESCc1cc(C)cc(-c2ncnc3cc(C(C)C)ccc23)c1
InChIInChI=1S/C19H20N2/c1-12(2)15-5-6-17-18(10-15)20-11-21-19(17)16-8-13(3)7-14(4)9-16/h5-12H,1-4H3
InChIKeyQHGIFJKBMQZYBE-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.04
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline

4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline (PubChem CID 138464518) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
PubChem CID138464518
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
SMILESCc1cc(C)cc(-c2ncnc3cc(C(C)C)ccc23)c1
InChIInChI=1S/C19H20N2/c1-12(2)15-5-6-17-18(10-15)20-11-21-19(17)16-8-13(3)7-14(4)9-16/h5-12H,1-4H3
InChIKeyQHGIFJKBMQZYBE-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline 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 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline?
The IUPAC name of 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline (CID 138464518) is 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline?
The canonical SMILES for 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline is Cc1cc(C)cc(-c2ncnc3cc(C(C)C)ccc23)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline?
The InChIKey is QHGIFJKBMQZYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-12(2)15-5-6-17-18(10-15)20-11-21-19(17)16-8-13(3)7-14(4)9-16/h5-12H,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline?
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline has a molecular weight of 276.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline is sourced from PubChem (CID 138464518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).