6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one

C20H20N2O3 — CID 142161622

IUPAC6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one
SMILESC=C(OC)c1ccc2c(c1)C(=C)N(Cc1ccc(OC)cc1)C(=O)N2
InChIInChI=1S/C20H20N2O3/c1-13-18-11-16(14(2)24-3)7-10-19(18)21-20(23)22(13)12-15-5-8-17(25-4)9-6-15/h5-11H,1-2,12H2,3-4H3,(H,21,23)
InChIKeyYJXPWZKJRAOXCS-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.33
Rot. Bonds5

About 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one

6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one (PubChem CID 142161622) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one
PubChem CID142161622
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one
SMILESC=C(OC)c1ccc2c(c1)C(=C)N(Cc1ccc(OC)cc1)C(=O)N2
InChIInChI=1S/C20H20N2O3/c1-13-18-11-16(14(2)24-3)7-10-19(18)21-20(23)22(13)12-15-5-8-17(25-4)9-6-15/h5-11H,1-2,12H2,3-4H3,(H,21,23)
InChIKeyYJXPWZKJRAOXCS-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29129723
4-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 108753883
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
CID 138556030
3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one
CID 914427
2-[(4-methoxyphenyl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760646
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
1-[(4-methoxyphenyl)methyl]-2,3-dioxoindole-5-sulfonic acid
CID 129219106

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one?
The IUPAC name of 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one (CID 142161622) is 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one.
What is the SMILES notation for 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one?
The canonical SMILES for 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one is C=C(OC)c1ccc2c(c1)C(=C)N(Cc1ccc(OC)cc1)C(=O)N2.
What is the InChIKey of 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one?
The InChIKey is YJXPWZKJRAOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-18-11-16(14(2)24-3)7-10-19(18)21-20(23)22(13)12-15-5-8-17(25-4)9-6-15/h5-11H,1-2,12H2,3-4H3,(H,21,23).
What are the key properties of 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one?
6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one has a molecular weight of 336.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one is sourced from PubChem (CID 142161622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).