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

C14H9ClN2O2 — CID 659914

IUPAC3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKeyMIOWCSICDLCGIE-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.33
Rot. Bonds1

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

3-(3-chlorophenyl)-1H-quinazoline-2,4-dione (PubChem CID 659914) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
PubChem CID659914
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKeyMIOWCSICDLCGIE-UHFFFAOYSA-N
XLogP2.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazolinedione
CID 64048
3-(2,4-Dichlorophenyl)-6-fluoroquinazoline-2,4(1H,3H)-dione
CID 4021277
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
Glycosmicine
CID 11788
Clanfenur
CID 68684
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione (CID 659914) is 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
The InChIKey is MIOWCSICDLCGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h1-8H,(H,16,19).
What are the key properties of 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
3-(3-chlorophenyl)-1H-quinazoline-2,4-dione has a molecular weight of 272.69 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 659914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).