(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate

C19H16N2O4 — CID 735211

IUPAC(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-24-15-9-6-14(7-10-15)8-11-18(22)25-13-21-12-20-17-5-3-2-4-16(17)19(21)23/h2-12H,13H2,1H3
InChIKeyCQRCJZOXYWPSPQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.62
Rot. Bonds5

About (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate

(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 735211) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
PubChem CID735211
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-24-15-9-6-14(7-10-15)8-11-18(22)25-13-21-12-20-17-5-3-2-4-16(17)19(21)23/h2-12H,13H2,1H3
InChIKeyCQRCJZOXYWPSPQ-UHFFFAOYSA-N
XLogP2.62
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate
CID 24569687
ethane;methane;(4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
CID 158474747
4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
CID 5113782
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 4023290
(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 2125037
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 4558981
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate
CID 71964243
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9479013

Frequently Asked Questions

What is the IUPAC name of (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate (CID 735211) is (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)OCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is CQRCJZOXYWPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-15-9-6-14(7-10-15)8-11-18(22)25-13-21-12-20-17-5-3-2-4-16(17)19(21)23/h2-12H,13H2,1H3.
What are the key properties of (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate?
(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 336.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 735211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).