3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one

C18H18N2O2 — CID 973535

IUPAC3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccc(OCCn2cnc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-8-17(14(2)11-13)22-10-9-20-12-19-16-6-4-3-5-15(16)18(20)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDYRVGNZUKIBFKG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.09
Rot. Bonds4

About 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one

3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one (PubChem CID 973535) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
PubChem CID973535
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccc(OCCn2cnc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-8-17(14(2)11-13)22-10-9-20-12-19-16-6-4-3-5-15(16)18(20)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDYRVGNZUKIBFKG-UHFFFAOYSA-N
XLogP3.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
CID 762605
3-[4-(4-bromo-2-methylphenoxy)butyl]quinazolin-4-one
CID 2299969
3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 2216367
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 16995013
3-[4-(4-methyl-2-nitrophenoxy)butyl]quinazolin-4-one
CID 2922684
6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
CID 8536647
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913
3-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]quinazolin-4-one
CID 1328560
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole;oxalic acid
CID 2949443

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one (CID 973535) is 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one is Cc1ccc(OCCn2cnc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one?
The InChIKey is DYRVGNZUKIBFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-8-17(14(2)11-13)22-10-9-20-12-19-16-6-4-3-5-15(16)18(20)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one?
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 973535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).