3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione

C14H7Cl2FN2O2 — CID 4021277

IUPAC3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)
InChIKeyWSABVXQKFNLRDA-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.12
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione

3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione (PubChem CID 4021277) has the molecular formula C14H7Cl2FN2O2 and a molecular weight of 325.13 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
PubChem CID4021277
Molecular FormulaC14H7Cl2FN2O2
Molecular Weight325.13 g/mol
Exact Mass323.99
IUPAC Name3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)
InChIKeyWSABVXQKFNLRDA-UHFFFAOYSA-N
XLogP3.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
Clanfenur
CID 68684
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
3-Phenylquinazoline-2,4-dione
CID 242637
3-(2,4-Dichlorophenyl)-6-fluoro-1-methylquinazoline-2,4-dione
CID 139596634
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
7-Chloroquinazoline-2,4-diol
CID 246858
6-Chloroquinazoline-2,4(1H,3H)-dione
CID 303998
3-(4-Chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
CID 711618
2-({[(3-Chloro-4-fluorophenyl)amino]carbonyl}amino)benzamide
CID 970557

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione (CID 4021277) is 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is WSABVXQKFNLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21).
What are the key properties of 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione?
3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 325.13 g/mol, XLogP of 3.12, 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)-6-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4021277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).