4-methyl-6-(3-propan-2-ylphenyl)quinazoline

C18H18N2 — CID 71095396

IUPAC4-methyl-6-(3-propan-2-ylphenyl)quinazoline
SMILESCc1ncnc2ccc(-c3cccc(C(C)C)c3)cc12
InChIInChI=1S/C18H18N2/c1-12(2)14-5-4-6-15(9-14)16-7-8-18-17(10-16)13(3)19-11-20-18/h4-12H,1-3H3
InChIKeyJLTNYRJXBGJQEX-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.73
Rot. Bonds2

About 4-methyl-6-(3-propan-2-ylphenyl)quinazoline

4-methyl-6-(3-propan-2-ylphenyl)quinazoline (PubChem CID 71095396) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-6-(3-propan-2-ylphenyl)quinazoline.

Molecular Properties

Compound Name4-methyl-6-(3-propan-2-ylphenyl)quinazoline
PubChem CID71095396
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-methyl-6-(3-propan-2-ylphenyl)quinazoline
SMILESCc1ncnc2ccc(-c3cccc(C(C)C)c3)cc12
InChIInChI=1S/C18H18N2/c1-12(2)14-5-4-6-15(9-14)16-7-8-18-17(10-16)13(3)19-11-20-18/h4-12H,1-3H3
InChIKeyJLTNYRJXBGJQEX-UHFFFAOYSA-N
XLogP4.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-propan-2-ylphenyl)quinazoline?
The IUPAC name of 4-methyl-6-(3-propan-2-ylphenyl)quinazoline (CID 71095396) is 4-methyl-6-(3-propan-2-ylphenyl)quinazoline.
What is the SMILES notation for 4-methyl-6-(3-propan-2-ylphenyl)quinazoline?
The canonical SMILES for 4-methyl-6-(3-propan-2-ylphenyl)quinazoline is Cc1ncnc2ccc(-c3cccc(C(C)C)c3)cc12.
What is the InChIKey of 4-methyl-6-(3-propan-2-ylphenyl)quinazoline?
The InChIKey is JLTNYRJXBGJQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-12(2)14-5-4-6-15(9-14)16-7-8-18-17(10-16)13(3)19-11-20-18/h4-12H,1-3H3.
What are the key properties of 4-methyl-6-(3-propan-2-ylphenyl)quinazoline?
4-methyl-6-(3-propan-2-ylphenyl)quinazoline has a molecular weight of 262.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-propan-2-ylphenyl)quinazoline is sourced from PubChem (CID 71095396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).