2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid

C13H14N2O3 — CID 82513666

IUPAC2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid
SMILESCc1nc(=O)c2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-14-11(16)9-6-4-5-7-10(9)15(8)13(2,3)12(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyWXENIANAVBNCFM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.52
Rot. Bonds2

About 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid

2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid (PubChem CID 82513666) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid
PubChem CID82513666
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid
SMILESCc1nc(=O)c2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-14-11(16)9-6-4-5-7-10(9)15(8)13(2,3)12(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyWXENIANAVBNCFM-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(3-methylindol-1-yl)propanoic acid
CID 114989239
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
CID 82144552
2-(3-chloroindol-1-yl)-2-methylpropanoic acid
CID 114996573
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
CID 12072605
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
CID 53440912
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
tert-butyl 4-oxoquinoline-1-carboxylate
CID 71540334
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
CID 58788257
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid (CID 82513666) is 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid is Cc1nc(=O)c2ccccc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid?
The InChIKey is WXENIANAVBNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-14-11(16)9-6-4-5-7-10(9)15(8)13(2,3)12(17)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid?
2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-4-oxoquinazolin-1-yl)propanoic acid is sourced from PubChem (CID 82513666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).