5-chloro-8-methyl-1H-quinazoline-2,4-dione

C9H7ClN2O2 — CID 114588951

IUPAC5-chloro-8-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc(Cl)c2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C9H7ClN2O2/c1-4-2-3-5(10)6-7(4)11-9(14)12-8(6)13/h2-3H,1H3,(H2,11,12,13,14)
InChIKeyRGDUWBKQDDMMPF-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.18
Rot. Bonds

About 5-chloro-8-methyl-1H-quinazoline-2,4-dione

5-chloro-8-methyl-1H-quinazoline-2,4-dione (PubChem CID 114588951) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-chloro-8-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-chloro-8-methyl-1H-quinazoline-2,4-dione
PubChem CID114588951
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name5-chloro-8-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc(Cl)c2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C9H7ClN2O2/c1-4-2-3-5(10)6-7(4)11-9(14)12-8(6)13/h2-3H,1H3,(H2,11,12,13,14)
InChIKeyRGDUWBKQDDMMPF-UHFFFAOYSA-N
XLogP1.18
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 5-chloro-8-methyl-1H-quinazoline-2,4-dione (CID 114588951) is 5-chloro-8-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-chloro-8-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-chloro-8-methyl-1H-quinazoline-2,4-dione is Cc1ccc(Cl)c2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 5-chloro-8-methyl-1H-quinazoline-2,4-dione?
The InChIKey is RGDUWBKQDDMMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-4-2-3-5(10)6-7(4)11-9(14)12-8(6)13/h2-3H,1H3,(H2,11,12,13,14).
What are the key properties of 5-chloro-8-methyl-1H-quinazoline-2,4-dione?
5-chloro-8-methyl-1H-quinazoline-2,4-dione has a molecular weight of 210.62 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 114588951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).