6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid

C16H18N2O2 — CID 84641479

IUPAC6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(C3CCCN3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H18N2O2/c1-2-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-3-7-17-14/h5-6,8-9,14,17H,2-4,7H2,1H3,(H,19,20)
InChIKeyCLUGQEQEEUTUSF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds3

About 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid

6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid (PubChem CID 84641479) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
PubChem CID84641479
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(C3CCCN3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H18N2O2/c1-2-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-3-7-17-14/h5-6,8-9,14,17H,2-4,7H2,1H3,(H,19,20)
InChIKeyCLUGQEQEEUTUSF-UHFFFAOYSA-N
XLogP2.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
CID 134103584
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
7-methoxy-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641748
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
4-ethyl-2-pyrrolidin-2-ylpyridine
CID 115009302
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
6-ethylquinoline-4-carboxylic acid
CID 83527113
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
4-methoxy-2-pyrrolidin-2-ylquinoline
CID 3320463

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid (CID 84641479) is 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid is CCc1ccc2nc(C3CCCN3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
The InChIKey is CLUGQEQEEUTUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-3-7-17-14/h5-6,8-9,14,17H,2-4,7H2,1H3,(H,19,20).
What are the key properties of 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid?
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 84641479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).