3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one

C20H20N2O2 — CID 762605

IUPAC3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
SMILESC=CCc1cc(C)ccc1OCCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H20N2O2/c1-3-6-16-13-15(2)9-10-19(16)24-12-11-22-14-21-18-8-5-4-7-17(18)20(22)23/h3-5,7-10,13-14H,1,6,11-12H2,2H3
InChIKeyZYYKZQRTYLEBHF-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.51
Rot. Bonds6

About 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one

3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one (PubChem CID 762605) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
PubChem CID762605
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
SMILESC=CCc1cc(C)ccc1OCCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H20N2O2/c1-3-6-16-13-15(2)9-10-19(16)24-12-11-22-14-21-18-8-5-4-7-17(18)20(22)23/h3-5,7-10,13-14H,1,6,11-12H2,2H3
InChIKeyZYYKZQRTYLEBHF-UHFFFAOYSA-N
XLogP3.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
3-[4-(4-methyl-2-nitrophenoxy)butyl]quinazolin-4-one
CID 2922684
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
3-[4-(4-bromo-2-methylphenoxy)butyl]quinazolin-4-one
CID 2299969
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 2216367
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]quinazolin-4-one
CID 1328560
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
3-propylquinazolin-4-one
CID 529124
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one (CID 762605) is 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one is C=CCc1cc(C)ccc1OCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one?
The InChIKey is ZYYKZQRTYLEBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-6-16-13-15(2)9-10-19(16)24-12-11-22-14-21-18-8-5-4-7-17(18)20(22)23/h3-5,7-10,13-14H,1,6,11-12H2,2H3.
What are the key properties of 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one?
3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one has a molecular weight of 320.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 762605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).