methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate

C14H14N2O5 — CID 54567435

IUPACmethyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate
SMILESCOC(=O)C=Cn1cnc2c(OC)cc(OC)cc2c1=O
InChIInChI=1S/C14H14N2O5/c1-19-9-6-10-13(11(7-9)20-2)15-8-16(14(10)18)5-4-12(17)21-3/h4-8H,1-3H3
InChIKeyZUVMMGOMQCSVMW-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate

methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate (PubChem CID 54567435) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate
PubChem CID54567435
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate
SMILESCOC(=O)C=Cn1cnc2c(OC)cc(OC)cc2c1=O
InChIInChI=1S/C14H14N2O5/c1-19-9-6-10-13(11(7-9)20-2)15-8-16(14(10)18)5-4-12(17)21-3/h4-8H,1-3H3
InChIKeyZUVMMGOMQCSVMW-UHFFFAOYSA-N
XLogP1.06
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium (E)-3-(6-methoxy-4-oxoquinazolin-3-yl)prop-2-enoate
CID 70579248
methyl (Z)-3-[3-(3-chloro-5-methoxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate
CID 58503806
2-(diethylamino)ethyl 3-[4-oxo-6,8-di(propan-2-yl)quinazolin-3-yl]prop-2-enoate
CID 56623508
1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline
CID 73387956
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 23610222
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
CID 100731706
4-chloro-N-[[2-(6,8-dimethoxyquinolin-4-yl)-1-pyridin-2-ylethylidene]amino]butanamide
CID 90827470
6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
CID 171906833
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528
2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid
CID 154673036

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate?
The IUPAC name of methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate (CID 54567435) is methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate is COC(=O)C=Cn1cnc2c(OC)cc(OC)cc2c1=O.
What is the InChIKey of methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate?
The InChIKey is ZUVMMGOMQCSVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-19-9-6-10-13(11(7-9)20-2)15-8-16(14(10)18)5-4-12(17)21-3/h4-8H,1-3H3.
What are the key properties of methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate?
methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate has a molecular weight of 290.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,8-dimethoxy-4-oxoquinazolin-3-yl)prop-2-enoate is sourced from PubChem (CID 54567435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).