7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione

C30H19ClN2O2 — CID 175627336

IUPAC7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccccc3-c3ccccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C30H19ClN2O2/c31-26-14-6-5-13-24(26)23-12-4-3-10-21(23)20-16-17-25-27(18-20)32-30(35)33(29(25)34)28-15-7-9-19-8-1-2-11-22(19)28/h1-18H,(H,32,35)
InChIKeyQEXOACGHEABWHY-UHFFFAOYSA-N
MW474.95 g/mol
LogP6.82
Rot. Bonds3

About 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione

7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione (PubChem CID 175627336) has the molecular formula C30H19ClN2O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
PubChem CID175627336
Molecular FormulaC30H19ClN2O2
Molecular Weight474.95 g/mol
Exact Mass474.11
IUPAC Name7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccccc3-c3ccccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C30H19ClN2O2/c31-26-14-6-5-13-24(26)23-12-4-3-10-21(23)20-16-17-25-27(18-20)32-30(35)33(29(25)34)28-15-7-9-19-8-1-2-11-22(19)28/h1-18H,(H,32,35)
InChIKeyQEXOACGHEABWHY-UHFFFAOYSA-N
XLogP6.82
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione (CID 175627336) is 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3ccccc3-c3ccccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12.
What is the InChIKey of 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The InChIKey is QEXOACGHEABWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN2O2/c31-26-14-6-5-13-24(26)23-12-4-3-10-21(23)20-16-17-25-27(18-20)32-30(35)33(29(25)34)28-15-7-9-19-8-1-2-11-22(19)28/h1-18H,(H,32,35).
What are the key properties of 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione has a molecular weight of 474.95 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 175627336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).