4-methylquinazoline-2-carboxylic acid

C10H8N2O2 — CID 84770673

IUPAC4-methylquinazoline-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C10H8N2O2/c1-6-7-4-2-3-5-8(7)12-9(11-6)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyOFILXUVZDHVTDY-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.64
Rot. Bonds1

About 4-methylquinazoline-2-carboxylic acid

4-methylquinazoline-2-carboxylic acid (PubChem CID 84770673) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-methylquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methylquinazoline-2-carboxylic acid
PubChem CID84770673
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-methylquinazoline-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C10H8N2O2/c1-6-7-4-2-3-5-8(7)12-9(11-6)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyOFILXUVZDHVTDY-UHFFFAOYSA-N
XLogP1.64
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methylquinazoline-2-carboxamide
CID 14528198
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
6-chloro-4-methylquinazoline-2-carboxylic acid
CID 84788769
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-phenylsulfanylquinazoline-2-carboxylic acid
CID 62406734
4-cyclopentyloxyquinazoline-2-carboxylic acid
CID 55251807
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid
CID 106314467
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033

Frequently Asked Questions

What is the IUPAC name of 4-methylquinazoline-2-carboxylic acid?
The IUPAC name of 4-methylquinazoline-2-carboxylic acid (CID 84770673) is 4-methylquinazoline-2-carboxylic acid.
What is the SMILES notation for 4-methylquinazoline-2-carboxylic acid?
The canonical SMILES for 4-methylquinazoline-2-carboxylic acid is Cc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-methylquinazoline-2-carboxylic acid?
The InChIKey is OFILXUVZDHVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-6-7-4-2-3-5-8(7)12-9(11-6)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methylquinazoline-2-carboxylic acid?
4-methylquinazoline-2-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinazoline-2-carboxylic acid is sourced from PubChem (CID 84770673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).