5-(dichloromethoxy)-1H-quinazoline-2,4-dione

C9H6Cl2N2O3 — CID 19604225

IUPAC5-(dichloromethoxy)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(OC(Cl)Cl)cccc2[nH]1
InChIInChI=1S/C9H6Cl2N2O3/c10-8(11)16-5-3-1-2-4-6(5)7(14)13-9(15)12-4/h1-3,8H,(H2,12,13,14,15)
InChIKeyWQCOVXZSGQYWQF-UHFFFAOYSA-N
MW261.06 g/mol
LogP1.36
Rot. Bonds2

About 5-(dichloromethoxy)-1H-quinazoline-2,4-dione

5-(dichloromethoxy)-1H-quinazoline-2,4-dione (PubChem CID 19604225) has the molecular formula C9H6Cl2N2O3 and a molecular weight of 261.06 g/mol. Its IUPAC name is 5-(dichloromethoxy)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-(dichloromethoxy)-1H-quinazoline-2,4-dione
PubChem CID19604225
Molecular FormulaC9H6Cl2N2O3
Molecular Weight261.06 g/mol
Exact Mass259.98
IUPAC Name5-(dichloromethoxy)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(OC(Cl)Cl)cccc2[nH]1
InChIInChI=1S/C9H6Cl2N2O3/c10-8(11)16-5-3-1-2-4-6(5)7(14)13-9(15)12-4/h1-3,8H,(H2,12,13,14,15)
InChIKeyWQCOVXZSGQYWQF-UHFFFAOYSA-N
XLogP1.36
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxo-1H-quinazoline-5-sulfonyl chloride
CID 121398704
5-(2-methoxyethyl)-1H-quinazoline-2,4-dione
CID 140789794
tert-butyl 2,4-dioxo-1H-quinazoline-5-carboxylate
CID 135396137
6-bromo-5-chloro-1H-quinazoline-2,4-dione
CID 19604402
1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one
CID 141439853
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122656517
4-(difluoromethoxy)-1,2-benzothiazol-3-one
CID 57425210
8-ethoxy-1H-quinazoline-2,4-dione
CID 19604239
bis(6H-[1,3]dioxolo[4,5-f]quinazoline-7,9-dione);hydrate
CID 70434049
dichloromethyl 2,4-dioxo-1H-quinazoline-6-carboxylate
CID 19604358
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61084951

Frequently Asked Questions

What is the IUPAC name of 5-(dichloromethoxy)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-(dichloromethoxy)-1H-quinazoline-2,4-dione (CID 19604225) is 5-(dichloromethoxy)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-(dichloromethoxy)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-(dichloromethoxy)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2c(OC(Cl)Cl)cccc2[nH]1.
What is the InChIKey of 5-(dichloromethoxy)-1H-quinazoline-2,4-dione?
The InChIKey is WQCOVXZSGQYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O3/c10-8(11)16-5-3-1-2-4-6(5)7(14)13-9(15)12-4/h1-3,8H,(H2,12,13,14,15).
What are the key properties of 5-(dichloromethoxy)-1H-quinazoline-2,4-dione?
5-(dichloromethoxy)-1H-quinazoline-2,4-dione has a molecular weight of 261.06 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethoxy)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19604225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).