3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline

C18H20N2 — CID 102203198

IUPAC3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline
SMILESCc1cc(C)c(CN2C=Nc3ccccc3C2)c(C)c1
InChIInChI=1S/C18H20N2/c1-13-8-14(2)17(15(3)9-13)11-20-10-16-6-4-5-7-18(16)19-12-20/h4-9,12H,10-11H2,1-3H3
InChIKeyREPKDHGLKBIFMM-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.29
Rot. Bonds2

About 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline

3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline (PubChem CID 102203198) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline
PubChem CID102203198
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline
SMILESCc1cc(C)c(CN2C=Nc3ccccc3C2)c(C)c1
InChIInChI=1S/C18H20N2/c1-13-8-14(2)17(15(3)9-13)11-20-10-16-6-4-5-7-18(16)19-12-20/h4-9,12H,10-11H2,1-3H3
InChIKeyREPKDHGLKBIFMM-UHFFFAOYSA-N
XLogP4.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylprop-2-enyl)-4H-quinazoline
CID 11629718
3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline
CID 174835611
2-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501218
3-(pyrrolidin-3-ylmethyl)-4H-quinazoline
CID 71650885
2,2-difluoroethyl-methylidene-[4-methyl-3-(4H-quinazolin-3-yl)phenyl]-λ4-sulfane
CID 158833307
1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol
CID 90891190
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dimethylphenol
CID 45486668
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
CID 175777360
2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline
CID 174844794
3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
1-(2,4,6-trimethylphenyl)-N-trimethylsilylmethanamine
CID 11964134

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline (CID 102203198) is 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline is Cc1cc(C)c(CN2C=Nc3ccccc3C2)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline?
The InChIKey is REPKDHGLKBIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-8-14(2)17(15(3)9-13)11-20-10-16-6-4-5-7-18(16)19-12-20/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline?
3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline has a molecular weight of 264.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline is sourced from PubChem (CID 102203198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).