7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione

C24H14Cl2N2O2 — CID 175627384

IUPAC7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3c(Cl)cccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C24H14Cl2N2O2/c25-18-8-4-9-19(26)22(18)15-11-12-17-20(13-15)27-24(30)28(23(17)29)21-10-3-6-14-5-1-2-7-16(14)21/h1-13H,(H,27,30)
InChIKeySESZJNKLXCFSKZ-UHFFFAOYSA-N
MW433.29 g/mol
LogP5.81
Rot. Bonds2

About 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione

7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione (PubChem CID 175627384) has the molecular formula C24H14Cl2N2O2 and a molecular weight of 433.29 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
PubChem CID175627384
Molecular FormulaC24H14Cl2N2O2
Molecular Weight433.29 g/mol
Exact Mass432.04
IUPAC Name7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3c(Cl)cccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C24H14Cl2N2O2/c25-18-8-4-9-19(26)22(18)15-11-12-17-20(13-15)27-24(30)28(23(17)29)21-10-3-6-14-5-1-2-7-16(14)21/h1-13H,(H,27,30)
InChIKeySESZJNKLXCFSKZ-UHFFFAOYSA-N
XLogP5.81
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione (CID 175627384) is 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3c(Cl)cccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12.
What is the InChIKey of 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The InChIKey is SESZJNKLXCFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O2/c25-18-8-4-9-19(26)22(18)15-11-12-17-20(13-15)27-24(30)28(23(17)29)21-10-3-6-14-5-1-2-7-16(14)21/h1-13H,(H,27,30).
What are the key properties of 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione has a molecular weight of 433.29 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 175627384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).