3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one

C20H20N2O3 — CID 973373

IUPAC3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
SMILESC/C=C/c1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-3-6-15-9-10-18(19(13-15)24-2)25-12-11-22-14-21-17-8-5-4-7-16(17)20(22)23/h3-10,13-14H,11-12H2,1-2H3/b6-3+
InChIKeyFWCJGROUAXGXKF-ZZXKWVIFSA-N
MW336.39 g/mol
LogP3.52
Rot. Bonds6

About 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one

3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one (PubChem CID 973373) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
PubChem CID973373
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
SMILESC/C=C/c1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-3-6-15-9-10-18(19(13-15)24-2)25-12-11-22-14-21-17-8-5-4-7-16(17)20(22)23/h3-10,13-14H,11-12H2,1-2H3/b6-3+
InChIKeyFWCJGROUAXGXKF-ZZXKWVIFSA-N
XLogP3.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
CID 51283429
1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036
1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
CID 2232290
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
CID 762605
3-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2216206
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[4-(4-bromo-2-methylphenoxy)butyl]quinazolin-4-one
CID 2299969
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 2216367
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221626
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one (CID 973373) is 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one is C/C=C/c1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one?
The InChIKey is FWCJGROUAXGXKF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-6-15-9-10-18(19(13-15)24-2)25-12-11-22-14-21-17-8-5-4-7-16(17)20(22)23/h3-10,13-14H,11-12H2,1-2H3/b6-3+.
What are the key properties of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one?
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 973373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).