5,7-dichloro-8-methoxy-3-propylquinazolin-4-one

C12H12Cl2N2O2 — CID 59726087

IUPAC5,7-dichloro-8-methoxy-3-propylquinazolin-4-one
SMILESCCCn1cnc2c(OC)c(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-3-4-16-6-15-10-9(12(16)17)7(13)5-8(14)11(10)18-2/h5-6H,3-4H2,1-2H3
InChIKeyBUGYUXHZRVCWDK-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.12
Rot. Bonds3

About 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one

5,7-dichloro-8-methoxy-3-propylquinazolin-4-one (PubChem CID 59726087) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-methoxy-3-propylquinazolin-4-one
PubChem CID59726087
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name5,7-dichloro-8-methoxy-3-propylquinazolin-4-one
SMILESCCCn1cnc2c(OC)c(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-3-4-16-6-15-10-9(12(16)17)7(13)5-8(14)11(10)18-2/h5-6H,3-4H2,1-2H3
InChIKeyBUGYUXHZRVCWDK-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-3-[[6-[(5,7-dichloro-8-methoxy-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl]methyl]-8-methoxyquinazolin-4-one
CID 59726145
5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321762
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335
3-propylquinazolin-4-one
CID 529124
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 11580840
5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one
CID 91258270
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one
CID 23651960
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one (CID 59726087) is 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one is CCCn1cnc2c(OC)c(Cl)cc(Cl)c2c1=O.
What is the InChIKey of 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one?
The InChIKey is BUGYUXHZRVCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-3-4-16-6-15-10-9(12(16)17)7(13)5-8(14)11(10)18-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one?
5,7-dichloro-8-methoxy-3-propylquinazolin-4-one has a molecular weight of 287.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-methoxy-3-propylquinazolin-4-one is sourced from PubChem (CID 59726087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).