7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one

C11H11ClN2O3 — CID 135589778

IUPAC7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCCl
InChIInChI=1S/C11H11ClN2O3/c1-16-9-4-7-8(13-6-14-11(7)15)5-10(9)17-3-2-12/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyURVZDWUIQSCYNI-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.55
Rot. Bonds4

About 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one

7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one (PubChem CID 135589778) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
PubChem CID135589778
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCCl
InChIInChI=1S/C11H11ClN2O3/c1-16-9-4-7-8(13-6-14-11(7)15)5-10(9)17-3-2-12/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyURVZDWUIQSCYNI-UHFFFAOYSA-N
XLogP1.55
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
6-methoxy-7-(2-methylsulfanylethoxy)-3H-quinazolin-4-one;hydrochloride
CID 135549386
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
CID 135442261
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609
ethyl 7-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]heptanoate
CID 136597375
7-[(2S,3S,4S,5R)-6-fluoro-1,3,4,5,6-pentahydroxyhexan-2-yl]oxy-6-methoxy-3H-quinazolin-4-one
CID 140867589

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one (CID 135589778) is 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one is COc1cc2c(=O)[nH]cnc2cc1OCCCl.
What is the InChIKey of 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one?
The InChIKey is URVZDWUIQSCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-16-9-4-7-8(13-6-14-11(7)15)5-10(9)17-3-2-12/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one?
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one has a molecular weight of 254.67 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135589778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).