6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione

C12H11ClN2O3 — CID 117262456

IUPAC6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
SMILESCC(=O)Cn1c(=O)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C12H11ClN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5H,6H2,1-2H3
InChIKeyJGHRSUXXMLVPJL-UHFFFAOYSA-N
MW266.68 g/mol
LogP0.94
Rot. Bonds2

About 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione

6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione (PubChem CID 117262456) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
PubChem CID117262456
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
SMILESCC(=O)Cn1c(=O)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C12H11ClN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5H,6H2,1-2H3
InChIKeyJGHRSUXXMLVPJL-UHFFFAOYSA-N
XLogP0.94
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
The IUPAC name of 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione (CID 117262456) is 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione is CC(=O)Cn1c(=O)c2cc(Cl)ccc2n(C)c1=O.
What is the InChIKey of 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
The InChIKey is JGHRSUXXMLVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7(16)6-15-11(17)9-5-8(13)3-4-10(9)14(2)12(15)18/h3-5H,6H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione?
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).