2-(7-methylquinazolin-4-yl)acetic acid

C11H10N2O2 — CID 58828803

IUPAC2-(7-methylquinazolin-4-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)ncnc2c1
InChIInChI=1S/C11H10N2O2/c1-7-2-3-8-9(4-7)12-6-13-10(8)5-11(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyVPTOUOQMSYIUJE-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.57
Rot. Bonds2

About 2-(7-methylquinazolin-4-yl)acetic acid

2-(7-methylquinazolin-4-yl)acetic acid (PubChem CID 58828803) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(7-methylquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methylquinazolin-4-yl)acetic acid
PubChem CID58828803
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(7-methylquinazolin-4-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)ncnc2c1
InChIInChI=1S/C11H10N2O2/c1-7-2-3-8-9(4-7)12-6-13-10(8)5-11(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyVPTOUOQMSYIUJE-UHFFFAOYSA-N
XLogP1.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methylquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(7-methylquinazolin-4-yl)acetic acid (CID 58828803) is 2-(7-methylquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-methylquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-methylquinazolin-4-yl)acetic acid is Cc1ccc2c(CC(=O)O)ncnc2c1.
What is the InChIKey of 2-(7-methylquinazolin-4-yl)acetic acid?
The InChIKey is VPTOUOQMSYIUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-2-3-8-9(4-7)12-6-13-10(8)5-11(14)15/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-(7-methylquinazolin-4-yl)acetic acid?
2-(7-methylquinazolin-4-yl)acetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylquinazolin-4-yl)acetic acid is sourced from PubChem (CID 58828803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).