7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione

C11H9ClN2O3 — CID 117262781

IUPAC7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
SMILESCC(=O)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H9ClN2O3/c1-6(15)5-14-10(16)8-3-2-7(12)4-9(8)13-11(14)17/h2-4H,5H2,1H3,(H,13,17)
InChIKeyPURNVMGRENSPDE-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.93
Rot. Bonds2

About 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione

7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione (PubChem CID 117262781) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
PubChem CID117262781
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
SMILESCC(=O)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H9ClN2O3/c1-6(15)5-14-10(16)8-3-2-7(12)4-9(8)13-11(14)17/h2-4H,5H2,1H3,(H,13,17)
InChIKeyPURNVMGRENSPDE-UHFFFAOYSA-N
XLogP0.93
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 167782605
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
2-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N,N-diethylethanesulfonamide
CID 167825587
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
7-chloro-3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 2412469
7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 118499608
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione (CID 117262781) is 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione is CC(=O)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
The InChIKey is PURNVMGRENSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-6(15)5-14-10(16)8-3-2-7(12)4-9(8)13-11(14)17/h2-4H,5H2,1H3,(H,13,17).
What are the key properties of 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione has a molecular weight of 252.66 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).