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

C17H15ClN2O2 — CID 8536647

IUPAC6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccccc1OCCn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H15ClN2O2/c1-12-4-2-3-5-16(12)22-9-8-20-11-19-15-7-6-13(18)10-14(15)17(20)21/h2-7,10-11H,8-9H2,1H3
InChIKeyHIECWTLQECVULU-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.44
Rot. Bonds4

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

6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one (PubChem CID 8536647) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
PubChem CID8536647
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccccc1OCCn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H15ClN2O2/c1-12-4-2-3-5-16(12)22-9-8-20-11-19-15-7-6-13(18)10-14(15)17(20)21/h2-7,10-11H,8-9H2,1H3
InChIKeyHIECWTLQECVULU-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one
CID 7587299
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 962401
6-chloro-3-[2-(4-chlorophenyl)sulfanylethyl]quinazolin-4-one
CID 8638845
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
3-[2-(3-chlorophenoxy)ethyl]-6-nitroquinazolin-4-one
CID 51172578
3-[4-(4-bromo-2-methylphenoxy)butyl]quinazolin-4-one
CID 2299969
3-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]quinazolin-4-one
CID 1328560
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 2216367

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one (CID 8536647) is 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one is Cc1ccccc1OCCn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The InChIKey is HIECWTLQECVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-4-2-3-5-16(12)22-9-8-20-11-19-15-7-6-13(18)10-14(15)17(20)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one has a molecular weight of 314.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 8536647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).