ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate

C18H16N2O3 — CID 139986038

IUPACethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cccc(OC)c3)ncc2c1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(21)13-7-8-16-14(9-13)11-19-17(20-16)12-5-4-6-15(10-12)22-2/h4-11H,3H2,1-2H3
InChIKeyWNAWYQHLQDCUPY-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.48
Rot. Bonds4

About ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate

ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate (PubChem CID 139986038) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
PubChem CID139986038
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cccc(OC)c3)ncc2c1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(21)13-7-8-16-14(9-13)11-19-17(20-16)12-5-4-6-15(10-12)22-2/h4-11H,3H2,1-2H3
InChIKeyWNAWYQHLQDCUPY-UHFFFAOYSA-N
XLogP3.48
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
ethyl 5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182741
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
diethyl benzene-1,3-dicarboxylate
CID 12491
methyl 4-chloro-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate?
The IUPAC name of ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate (CID 139986038) is ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate?
The canonical SMILES for ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3cccc(OC)c3)ncc2c1.
What is the InChIKey of ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate?
The InChIKey is WNAWYQHLQDCUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-23-18(21)13-7-8-16-14(9-13)11-19-17(20-16)12-5-4-6-15(10-12)22-2/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate?
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate is sourced from PubChem (CID 139986038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).