6-propan-2-ylquinazoline-2-carboxylic acid

C12H12N2O2 — CID 178019149

IUPAC6-propan-2-ylquinazoline-2-carboxylic acid
SMILESCC(C)c1ccc2nc(C(=O)O)ncc2c1
InChIInChI=1S/C12H12N2O2/c1-7(2)8-3-4-10-9(5-8)6-13-11(14-10)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyDQUZREJJVGEPQW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.45
Rot. Bonds2

About 6-propan-2-ylquinazoline-2-carboxylic acid

6-propan-2-ylquinazoline-2-carboxylic acid (PubChem CID 178019149) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-propan-2-ylquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-ylquinazoline-2-carboxylic acid
PubChem CID178019149
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-propan-2-ylquinazoline-2-carboxylic acid
SMILESCC(C)c1ccc2nc(C(=O)O)ncc2c1
InChIInChI=1S/C12H12N2O2/c1-7(2)8-3-4-10-9(5-8)6-13-11(14-10)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyDQUZREJJVGEPQW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
6-propan-2-yl-2-propylquinazoline
CID 91323397
4-(2-methyl-5-propan-2-ylphenyl)pyrimidine-2-carboxylic acid
CID 116899759
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
2-(3-tert-butyl-5-methylphenyl)-6-propan-2-ylquinazoline
CID 167209607
2,8-di(propan-2-yl)phenazine
CID 70800003
1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea
CID 178103528
1-(6-fluoroquinazolin-2-yl)ethanone
CID 105444021
4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid
CID 84641744
(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84634639
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylquinazoline-2-carboxylic acid?
The IUPAC name of 6-propan-2-ylquinazoline-2-carboxylic acid (CID 178019149) is 6-propan-2-ylquinazoline-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-ylquinazoline-2-carboxylic acid?
The canonical SMILES for 6-propan-2-ylquinazoline-2-carboxylic acid is CC(C)c1ccc2nc(C(=O)O)ncc2c1.
What is the InChIKey of 6-propan-2-ylquinazoline-2-carboxylic acid?
The InChIKey is DQUZREJJVGEPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7(2)8-3-4-10-9(5-8)6-13-11(14-10)12(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 6-propan-2-ylquinazoline-2-carboxylic acid?
6-propan-2-ylquinazoline-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylquinazoline-2-carboxylic acid is sourced from PubChem (CID 178019149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).