1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione

C24H22N2O2 — CID 15989268

IUPAC1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C24H22N2O2/c1-18-9-5-6-12-20(18)17-26-22-14-8-7-13-21(22)23(27)25(24(26)28)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3
InChIKeyYXWVJIJEINMHJU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.76
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione

1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione (PubChem CID 15989268) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
PubChem CID15989268
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C24H22N2O2/c1-18-9-5-6-12-20(18)17-26-22-14-8-7-13-21(22)23(27)25(24(26)28)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3
InChIKeyYXWVJIJEINMHJU-UHFFFAOYSA-N
XLogP3.76
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione (CID 15989268) is 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione is Cc1ccccc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The InChIKey is YXWVJIJEINMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-18-9-5-6-12-20(18)17-26-22-14-8-7-13-21(22)23(27)25(24(26)28)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 15989268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).