2,6-dichloro-4-oxoquinazoline-3-carboxylic acid

C9H4Cl2N2O3 — CID 117264136

IUPAC2,6-dichloro-4-oxoquinazoline-3-carboxylic acid
SMILESO=C(O)n1c(Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C9H4Cl2N2O3/c10-4-1-2-6-5(3-4)7(14)13(9(15)16)8(11)12-6/h1-3H,(H,15,16)
InChIKeyFBGCLBRCDMGPQV-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.23
Rot. Bonds

About 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid

2,6-dichloro-4-oxoquinazoline-3-carboxylic acid (PubChem CID 117264136) has the molecular formula C9H4Cl2N2O3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloro-4-oxoquinazoline-3-carboxylic acid
PubChem CID117264136
Molecular FormulaC9H4Cl2N2O3
Molecular Weight259.05 g/mol
Exact Mass257.96
IUPAC Name2,6-dichloro-4-oxoquinazoline-3-carboxylic acid
SMILESO=C(O)n1c(Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C9H4Cl2N2O3/c10-4-1-2-6-5(3-4)7(14)13(9(15)16)8(11)12-6/h1-3H,(H,15,16)
InChIKeyFBGCLBRCDMGPQV-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
CID 4538652
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
2,3-ditert-butyl-6-chloroquinazolin-4-one
CID 90250802
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
6-chloro-3-(chloromethyl)-1,2,3-benzotriazin-4-one
CID 606627
6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 112776292
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid?
The IUPAC name of 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid (CID 117264136) is 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid.
What is the SMILES notation for 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid?
The canonical SMILES for 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid is O=C(O)n1c(Cl)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid?
The InChIKey is FBGCLBRCDMGPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O3/c10-4-1-2-6-5(3-4)7(14)13(9(15)16)8(11)12-6/h1-3H,(H,15,16).
What are the key properties of 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid?
2,6-dichloro-4-oxoquinazoline-3-carboxylic acid has a molecular weight of 259.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-oxoquinazoline-3-carboxylic acid is sourced from PubChem (CID 117264136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).