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

C23H19ClN2O2 — CID 15989272

IUPAC1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C23H19ClN2O2/c24-19-10-6-9-18(15-19)16-26-21-12-5-4-11-20(21)22(27)25(23(26)28)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2
InChIKeyGNVRGXDTHKMJKV-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.11
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione (PubChem CID 15989272) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
PubChem CID15989272
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C23H19ClN2O2/c24-19-10-6-9-18(15-19)16-26-21-12-5-4-11-20(21)22(27)25(23(26)28)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2
InChIKeyGNVRGXDTHKMJKV-UHFFFAOYSA-N
XLogP4.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione (CID 15989272) is 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1CCc1ccccc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
The InChIKey is GNVRGXDTHKMJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-19-10-6-9-18(15-19)16-26-21-12-5-4-11-20(21)22(27)25(23(26)28)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione?
1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione has a molecular weight of 390.87 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione is sourced from PubChem (CID 15989272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).