ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate

C19H18N2O4 — CID 135964784

IUPACethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cc(C)ccc3OC)[nH]c(=O)c2c1
InChIInChI=1S/C19H18N2O4/c1-4-25-19(23)12-6-7-15-13(10-12)18(22)21-17(20-15)14-9-11(2)5-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyGCRDBFDASNNEJL-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.08
Rot. Bonds4

About ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate

ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate (PubChem CID 135964784) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate
PubChem CID135964784
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cc(C)ccc3OC)[nH]c(=O)c2c1
InChIInChI=1S/C19H18N2O4/c1-4-25-19(23)12-6-7-15-13(10-12)18(22)21-17(20-15)14-9-11(2)5-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyGCRDBFDASNNEJL-UHFFFAOYSA-N
XLogP3.08
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
ethyl 3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381782
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
2-(dimethylamino)ethyl 2-[4-[6-[2-(dimethylamino)ethoxycarbonyl]-1H-benzimidazol-2-yl]-2,5-dimethoxyphenyl]-3H-benzimidazole-5-carboxylate
CID 138618318
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63017459
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
ethyl 3-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2H-indazole-5-carboxylate
CID 163472761
ethyl 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate (CID 135964784) is ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3cc(C)ccc3OC)[nH]c(=O)c2c1.
What is the InChIKey of ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate?
The InChIKey is GCRDBFDASNNEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-25-19(23)12-6-7-15-13(10-12)18(22)21-17(20-15)14-9-11(2)5-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate?
ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate is sourced from PubChem (CID 135964784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).