4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid

C16H19N3O2 — CID 114788663

IUPAC4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2ncc3ccccc3n2)C(C(=O)O)C1
InChIInChI=1S/C16H19N3O2/c1-2-11-7-8-19(14(9-11)15(20)21)16-17-10-12-5-3-4-6-13(12)18-16/h3-6,10-11,14H,2,7-9H2,1H3,(H,20,21)
InChIKeyNLNHHIXXKSXASR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.71
Rot. Bonds3

About 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid

4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid (PubChem CID 114788663) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
PubChem CID114788663
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2ncc3ccccc3n2)C(C(=O)O)C1
InChIInChI=1S/C16H19N3O2/c1-2-11-7-8-19(14(9-11)15(20)21)16-17-10-12-5-3-4-6-13(12)18-16/h3-6,10-11,14H,2,7-9H2,1H3,(H,20,21)
InChIKeyNLNHHIXXKSXASR-UHFFFAOYSA-N
XLogP2.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
CID 114789523
4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427593
methyl 1-quinazolin-2-ylpiperidine-2-carboxylate
CID 114789710
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
CID 114427524
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543
1-quinazolin-2-ylpiperazine-2-carboxamide
CID 114789482

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid (CID 114788663) is 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid is CCC1CCN(c2ncc3ccccc3n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid?
The InChIKey is NLNHHIXXKSXASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-11-7-8-19(14(9-11)15(20)21)16-17-10-12-5-3-4-6-13(12)18-16/h3-6,10-11,14H,2,7-9H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid?
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).