(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one

C19H20N2O3 — CID 40790488

IUPAC(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESC=CCOc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-4-11-24-16-10-9-13(12-17(16)23-3)18-20-19(22)14-7-5-6-8-15(14)21(18)2/h4-10,12,18H,1,11H2,2-3H3,(H,20,22)/t18-/m0/s1
InChIKeyZJRJRWWCQAVWEH-SFHVURJKSA-N
MW324.38 g/mol
LogP3.14
Rot. Bonds5

About (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one

(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 40790488) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID40790488
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESC=CCOc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-4-11-24-16-10-9-13(12-17(16)23-3)18-20-19(22)14-7-5-6-8-15(14)21(18)2/h4-10,12,18H,1,11H2,2-3H3,(H,20,22)/t18-/m0/s1
InChIKeyZJRJRWWCQAVWEH-SFHVURJKSA-N
XLogP3.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40809665
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
(2S)-1-benzyl-2-(3-methoxy-4-prop-2-enoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126182026
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
2-(3-chloro-4-prop-2-enoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 75419407
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
(2R)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 7450988
(5E)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377615
4-[3-[(2S)-1-methyl-4-oxo-2,3-dihydroquinazolin-2-yl]phenoxy]butanenitrile
CID 95157872
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
(4R)-5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-prop-2-enoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136783958

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one (CID 40790488) is (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one is C=CCOc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1OC.
What is the InChIKey of (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is ZJRJRWWCQAVWEH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-11-24-16-10-9-13(12-17(16)23-3)18-20-19(22)14-7-5-6-8-15(14)21(18)2/h4-10,12,18H,1,11H2,2-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 40790488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).