6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione

C9H6ClFN2O3 — CID 170552157

IUPAC6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1c(F)c(Cl)cc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C9H6ClFN2O3/c1-16-7-5(11)4(10)2-3-6(7)12-9(15)13-8(3)14/h2H,1H3,(H2,12,13,14,15)
InChIKeyCHLAIKNDWNXZME-UHFFFAOYSA-N
MW244.61 g/mol
LogP1.02
Rot. Bonds1

About 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione

6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione (PubChem CID 170552157) has the molecular formula C9H6ClFN2O3 and a molecular weight of 244.61 g/mol. Its IUPAC name is 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione
PubChem CID170552157
Molecular FormulaC9H6ClFN2O3
Molecular Weight244.61 g/mol
Exact Mass244.01
IUPAC Name6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1c(F)c(Cl)cc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C9H6ClFN2O3/c1-16-7-5(11)4(10)2-3-6(7)12-9(15)13-8(3)14/h2H,1H3,(H2,12,13,14,15)
InChIKeyCHLAIKNDWNXZME-UHFFFAOYSA-N
XLogP1.02
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.61
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione (CID 170552157) is 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione is COc1c(F)c(Cl)cc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is CHLAIKNDWNXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O3/c1-16-7-5(11)4(10)2-3-6(7)12-9(15)13-8(3)14/h2H,1H3,(H2,12,13,14,15).
What are the key properties of 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione?
6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 244.61 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-8-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170552157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).