methyl 2-oxo-1H-quinazoline-5-carboxylate

C10H8N2O3 — CID 174971461

IUPACmethyl 2-oxo-1H-quinazoline-5-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(=O)ncc12
InChIInChI=1S/C10H8N2O3/c1-15-9(13)6-3-2-4-8-7(6)5-11-10(14)12-8/h2-5H,1H3,(H,11,12,14)
InChIKeyZIVPKYHXRXNLPX-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.71
Rot. Bonds1

About methyl 2-oxo-1H-quinazoline-5-carboxylate

methyl 2-oxo-1H-quinazoline-5-carboxylate (PubChem CID 174971461) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 2-oxo-1H-quinazoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1H-quinazoline-5-carboxylate
PubChem CID174971461
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 2-oxo-1H-quinazoline-5-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(=O)ncc12
InChIInChI=1S/C10H8N2O3/c1-15-9(13)6-3-2-4-8-7(6)5-11-10(14)12-8/h2-5H,1H3,(H,11,12,14)
InChIKeyZIVPKYHXRXNLPX-UHFFFAOYSA-N
XLogP0.71
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1H-quinazoline-5-carboxylic acid
CID 175870043
5-methyl-1H-quinazolin-2-one
CID 90281623
methyl 2-propan-2-yl-1H-indole-4-carboxylate
CID 163972486
methyl 2-[(E)-2-nitroethenyl]-1H-indole-4-carboxylate
CID 23559700
5-propan-2-yl-1H-quinazolin-2-one
CID 170419248
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate
CID 54772698
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate
CID 108798636
methyl 2H-isoindole-4-carboxylate
CID 71773027
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1H-quinazoline-5-carboxylate?
The IUPAC name of methyl 2-oxo-1H-quinazoline-5-carboxylate (CID 174971461) is methyl 2-oxo-1H-quinazoline-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-1H-quinazoline-5-carboxylate?
The canonical SMILES for methyl 2-oxo-1H-quinazoline-5-carboxylate is COC(=O)c1cccc2[nH]c(=O)ncc12.
What is the InChIKey of methyl 2-oxo-1H-quinazoline-5-carboxylate?
The InChIKey is ZIVPKYHXRXNLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-9(13)6-3-2-4-8-7(6)5-11-10(14)12-8/h2-5H,1H3,(H,11,12,14).
What are the key properties of methyl 2-oxo-1H-quinazoline-5-carboxylate?
methyl 2-oxo-1H-quinazoline-5-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1H-quinazoline-5-carboxylate is sourced from PubChem (CID 174971461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).