1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione

C15H11ClN2O2 — CID 19744058

IUPAC1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(19)17-15(18)20/h1-8H,9H2,(H,17,19,20)
InChIKeyUCRSWKRTLNGVCU-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.39
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione

1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione (PubChem CID 19744058) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
PubChem CID19744058
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(19)17-15(18)20/h1-8H,9H2,(H,17,19,20)
InChIKeyUCRSWKRTLNGVCU-UHFFFAOYSA-N
XLogP2.39
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
1-ethylquinazoline-2,4-dione
CID 825310
N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
CID 169027603
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
1-(5-chloropentyl)quinazoline-2,4-dione
CID 22449700
1-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66546484
4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide
CID 27259647
1-[[4-chloro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 66546105

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione (CID 19744058) is 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
The InChIKey is UCRSWKRTLNGVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(19)17-15(18)20/h1-8H,9H2,(H,17,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione has a molecular weight of 286.72 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 19744058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).