4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid

C11H12N4O2 — CID 83016198

IUPAC4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
SMILESCN(C)Nc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C11H12N4O2/c1-15(2)14-9-7-5-3-4-6-8(7)12-10(13-9)11(16)17/h3-6H,1-2H3,(H,16,17)(H,12,13,14)
InChIKeySMKOQDBHNLFTKL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.22
Rot. Bonds3

About 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid

4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid (PubChem CID 83016198) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
PubChem CID83016198
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
SMILESCN(C)Nc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C11H12N4O2/c1-15(2)14-9-7-5-3-4-6-8(7)12-10(13-9)11(16)17/h3-6H,1-2H3,(H,16,17)(H,12,13,14)
InChIKeySMKOQDBHNLFTKL-UHFFFAOYSA-N
XLogP1.22
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
CID 63868698

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid (CID 83016198) is 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid is CN(C)Nc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid?
The InChIKey is SMKOQDBHNLFTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(2)14-9-7-5-3-4-6-8(7)12-10(13-9)11(16)17/h3-6H,1-2H3,(H,16,17)(H,12,13,14).
What are the key properties of 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid?
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid is sourced from PubChem (CID 83016198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).