methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate

C11H10N2O3 — CID 135890465

IUPACmethyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C11H10N2O3/c1-6-12-9-5-7(11(15)16-2)3-4-8(9)10(14)13-6/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXZFQNRLWZDAFIR-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.02
Rot. Bonds1

About methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate

methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate (PubChem CID 135890465) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate
PubChem CID135890465
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C11H10N2O3/c1-6-12-9-5-7(11(15)16-2)3-4-8(9)10(14)13-6/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXZFQNRLWZDAFIR-UHFFFAOYSA-N
XLogP1.02
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
CID 16175
Dimethyl 2-acetamidoterephthalate
CID 228014
(E)-4-[2,5-bis(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
CID 711394
2-(Chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
CID 135510268
methyl 4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoate
CID 135681156
4-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]benzoic acid
CID 135681222
Methyl 3-ethyl-2-(ethylthio)-4-oxo-3,4-dihydro-7-quinazolinecarboxylate
CID 687986
2-(2-Iodo-phenylamino)-7-methyl-benzo[d][1,3]oxazin-4-one
CID 10762177
Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
CID 135520070
Methyl 4-(4-oxo-3,4-dihydroquinazolin-2-YL)benzoate
CID 135476431
(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424355
Methyl 4-[(4-oxoquinazolin-3-yl)methyl]benzoate
CID 644885

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate (CID 135890465) is methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)[nH]c(C)nc2c1.
What is the InChIKey of methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate?
The InChIKey is XZFQNRLWZDAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-12-9-5-7(11(15)16-2)3-4-8(9)10(14)13-6/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate?
methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-3H-quinazoline-7-carboxylate is sourced from PubChem (CID 135890465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).