(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate

C17H14N2O4 — CID 119046801

IUPAC(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc3ncn(C)c(=O)c3c2)c1
InChIInChI=1S/C17H14N2O4/c1-19-10-18-15-7-6-13(9-14(15)16(19)20)23-17(21)11-4-3-5-12(8-11)22-2/h3-10H,1-2H3
InChIKeyMGVDXWVJPKIXLR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.16
Rot. Bonds3

About (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate

(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate (PubChem CID 119046801) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate.

Molecular Properties

Compound Name(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate
PubChem CID119046801
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc3ncn(C)c(=O)c3c2)c1
InChIInChI=1S/C17H14N2O4/c1-19-10-18-15-7-6-13(9-14(15)16(19)20)23-17(21)11-4-3-5-12(8-11)22-2/h3-10H,1-2H3
InChIKeyMGVDXWVJPKIXLR-UHFFFAOYSA-N
XLogP2.16
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one
CID 19605774
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
6-(4-aminophenoxy)-3-methylquinazolin-4-one
CID 25112229
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 3-methoxybenzoate
CID 23936949
(3,4-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
CID 906943
[4-[4-(3-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 3-methoxybenzoate
CID 988900
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
(2-oxochromen-7-yl) 3-methoxybenzoate
CID 906993
(3-methoxycarbonylphenyl) 3,4,5-trimethoxybenzoate
CID 8840220
(4-methoxyphenyl) 3-butoxybenzoate
CID 23012333

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate?
The IUPAC name of (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate (CID 119046801) is (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate.
What is the SMILES notation for (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate?
The canonical SMILES for (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccc3ncn(C)c(=O)c3c2)c1.
What is the InChIKey of (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate?
The InChIKey is MGVDXWVJPKIXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-19-10-18-15-7-6-13(9-14(15)16(19)20)23-17(21)11-4-3-5-12(8-11)22-2/h3-10H,1-2H3.
What are the key properties of (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate?
(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate has a molecular weight of 310.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate is sourced from PubChem (CID 119046801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).