2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one

C11H8Cl2N2O2 — CID 117264200

IUPAC2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1c(Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8Cl2N2O2/c1-6(16)5-15-10(17)8-3-2-7(12)4-9(8)14-11(15)13/h2-4H,5H2,1H3
InChIKeyGPWDYIMTIZFPRA-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.29
Rot. Bonds2

About 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one

2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one (PubChem CID 117264200) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one.

Molecular Properties

Compound Name2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
PubChem CID117264200
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1c(Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8Cl2N2O2/c1-6(16)5-15-10(17)8-3-2-7(12)4-9(8)14-11(15)13/h2-4H,5H2,1H3
InChIKeyGPWDYIMTIZFPRA-UHFFFAOYSA-N
XLogP2.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-methyl-3-(2-oxopropyl)quinazolin-4-one
CID 117264191
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
CID 117263866
7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262781
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one?
The IUPAC name of 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one (CID 117264200) is 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one.
What is the SMILES notation for 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one?
The canonical SMILES for 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one is CC(=O)Cn1c(Cl)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one?
The InChIKey is GPWDYIMTIZFPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6(16)5-15-10(17)8-3-2-7(12)4-9(8)14-11(15)13/h2-4H,5H2,1H3.
What are the key properties of 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one?
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one has a molecular weight of 271.10 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one is sourced from PubChem (CID 117264200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).