2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline

C23H22N2 — CID 174844794

IUPAC2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline
SMILESCc1ccccc1C1=Nc2ccccc2CN1CCc1ccccc1
InChIInChI=1S/C23H22N2/c1-18-9-5-7-13-21(18)23-24-22-14-8-6-12-20(22)17-25(23)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3
InChIKeyAWEZYRCBKQHYKC-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.13
Rot. Bonds4

About 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline

2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline (PubChem CID 174844794) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline
PubChem CID174844794
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline
SMILESCc1ccccc1C1=Nc2ccccc2CN1CCc1ccccc1
InChIInChI=1S/C23H22N2/c1-18-9-5-7-13-21(18)23-24-22-14-8-6-12-20(22)17-25(23)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3
InChIKeyAWEZYRCBKQHYKC-UHFFFAOYSA-N
XLogP5.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Dazepinil
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Perimidine, 1-methyl-2-phenyl-
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7,8,9,10,11,12,13,14,15,16-decahydroazacyclotridecino[2,1-b]quinazolin-18(6H)-imine
CID 3609939
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2-(4-Benzylpiperazino)benzo[cd]indole
CID 2325863
5-Phenyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 15620519
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1-benzyl-1H-perimidine
CID 801168

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline?
The IUPAC name of 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline (CID 174844794) is 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline is Cc1ccccc1C1=Nc2ccccc2CN1CCc1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline?
The InChIKey is AWEZYRCBKQHYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-18-9-5-7-13-21(18)23-24-22-14-8-6-12-20(22)17-25(23)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline?
2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline has a molecular weight of 326.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline is sourced from PubChem (CID 174844794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).