6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one

C18H17ClN2O3 — CID 7587299

IUPAC6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one
SMILESCCOc1ccc(OCCn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H17ClN2O3/c1-2-23-14-4-6-15(7-5-14)24-10-9-21-12-20-17-8-3-13(19)11-16(17)18(21)22/h3-8,11-12H,2,9-10H2,1H3
InChIKeyLIDPQIFIWHJCFP-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.53
Rot. Bonds6

About 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one

6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one (PubChem CID 7587299) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one
PubChem CID7587299
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one
SMILESCCOc1ccc(OCCn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H17ClN2O3/c1-2-23-14-4-6-15(7-5-14)24-10-9-21-12-20-17-8-3-13(19)11-16(17)18(21)22/h3-8,11-12H,2,9-10H2,1H3
InChIKeyLIDPQIFIWHJCFP-UHFFFAOYSA-N
XLogP3.53
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
CID 8536647
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
3-[2-(3-chlorophenoxy)ethyl]-6-nitroquinazolin-4-one
CID 51172578
6-chloro-3-[2-(4-chlorophenyl)sulfanylethyl]quinazolin-4-one
CID 8638845
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
6-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 7358885
2-(4-propoxyphenoxy)ethyl 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 55516743
3-[3-(4-chlorophenoxy)propyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429893

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one (CID 7587299) is 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one is CCOc1ccc(OCCn2cnc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one?
The InChIKey is LIDPQIFIWHJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-23-14-4-6-15(7-5-14)24-10-9-21-12-20-17-8-3-13(19)11-16(17)18(21)22/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one?
6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one has a molecular weight of 344.80 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 7587299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).