2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one

C20H22N2O3 — CID 54779970

IUPAC2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
SMILESC=C(C)COc1ccc(C2Nc3ccccc3C(=O)N2C)cc1OC
InChIInChI=1S/C20H22N2O3/c1-13(2)12-25-17-10-9-14(11-18(17)24-4)19-21-16-8-6-5-7-15(16)20(23)22(19)3/h5-11,19,21H,1,12H2,2-4H3
InChIKeyQZYXLRKFYQYESI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.85
Rot. Bonds5

About 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one

2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 54779970) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
PubChem CID54779970
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
SMILESC=C(C)COc1ccc(C2Nc3ccccc3C(=O)N2C)cc1OC
InChIInChI=1S/C20H22N2O3/c1-13(2)12-25-17-10-9-14(11-18(17)24-4)19-21-16-8-6-5-7-15(16)20(23)22(19)3/h5-11,19,21H,1,12H2,2-4H3
InChIKeyQZYXLRKFYQYESI-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.85
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

2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
2-[4-[(2R)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenoxy]acetic acid
CID 9008372
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
(2R)-3-[(2R)-butan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008099
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54779965
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one (CID 54779970) is 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one is C=C(C)COc1ccc(C2Nc3ccccc3C(=O)N2C)cc1OC.
What is the InChIKey of 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is QZYXLRKFYQYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)12-25-17-10-9-14(11-18(17)24-4)19-21-16-8-6-5-7-15(16)20(23)22(19)3/h5-11,19,21H,1,12H2,2-4H3.
What are the key properties of 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one?
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 338.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).