3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione

C14H8Cl2N2O2 — CID 4085011

IUPAC3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2N2O2/c15-8-5-6-12(10(16)7-8)18-13(19)9-3-1-2-4-11(9)17-14(18)20/h1-7H,(H,17,20)
InChIKeyKKNRTLHADHUMRY-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.99
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione

3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione (PubChem CID 4085011) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione
PubChem CID4085011
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2N2O2/c15-8-5-6-12(10(16)7-8)18-13(19)9-3-1-2-4-11(9)17-14(18)20/h1-7H,(H,17,20)
InChIKeyKKNRTLHADHUMRY-UHFFFAOYSA-N
XLogP2.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione (CID 4085011) is 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione?
The InChIKey is KKNRTLHADHUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-8-5-6-12(10(16)7-8)18-13(19)9-3-1-2-4-11(9)17-14(18)20/h1-7H,(H,17,20).
What are the key properties of 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione?
3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione has a molecular weight of 307.14 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4085011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).