2-(2,8-dimethylquinazolin-4-yl)acetic acid

C12H12N2O2 — CID 105469517

IUPAC2-(2,8-dimethylquinazolin-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c2cccc(C)c2n1
InChIInChI=1S/C12H12N2O2/c1-7-4-3-5-9-10(6-11(15)16)13-8(2)14-12(7)9/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyIGIOTMXLBQMBPL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.87
Rot. Bonds2

About 2-(2,8-dimethylquinazolin-4-yl)acetic acid

2-(2,8-dimethylquinazolin-4-yl)acetic acid (PubChem CID 105469517) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2,8-dimethylquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,8-dimethylquinazolin-4-yl)acetic acid
PubChem CID105469517
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2,8-dimethylquinazolin-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c2cccc(C)c2n1
InChIInChI=1S/C12H12N2O2/c1-7-4-3-5-9-10(6-11(15)16)13-8(2)14-12(7)9/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyIGIOTMXLBQMBPL-UHFFFAOYSA-N
XLogP1.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
2-(1,7-dimethylindazol-3-yl)acetic acid
CID 83908649
2-(4-chloro-8-methylquinolin-3-yl)acetic acid
CID 84699093
methane;2,4,8-trimethylquinazoline
CID 159057761
carbonic acid;1-methylnaphthalene
CID 66808059
4-chloro-2,8-dimethylquinazoline
CID 71721381
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
CID 105476978
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one
CID 146879288
4,5-dimethylacridine-9-carboxylate
CID 7095758
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
2-(2-methylphenyl)acetic acid
CID 67440217

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(2,8-dimethylquinazolin-4-yl)acetic acid (CID 105469517) is 2-(2,8-dimethylquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2,8-dimethylquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(2,8-dimethylquinazolin-4-yl)acetic acid is Cc1nc(CC(=O)O)c2cccc(C)c2n1.
What is the InChIKey of 2-(2,8-dimethylquinazolin-4-yl)acetic acid?
The InChIKey is IGIOTMXLBQMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-4-3-5-9-10(6-11(15)16)13-8(2)14-12(7)9/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,8-dimethylquinazolin-4-yl)acetic acid?
2-(2,8-dimethylquinazolin-4-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylquinazolin-4-yl)acetic acid is sourced from PubChem (CID 105469517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).