tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate

C19H24N2O2 — CID 164533103

IUPACtert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
SMILESC[C@@H]1CCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H24N2O2/c1-13-6-5-11-21(13)14-7-8-17-16(12-14)15(9-10-20-17)18(22)23-19(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m1/s1
InChIKeyKUAIGPJZKOFBBR-CYBMUJFWSA-N
MW312.41 g/mol
LogP4.18
Rot. Bonds2

About tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate

tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate (PubChem CID 164533103) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
PubChem CID164533103
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
SMILESC[C@@H]1CCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H24N2O2/c1-13-6-5-11-21(13)14-7-8-17-16(12-14)15(9-10-20-17)18(22)23-19(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m1/s1
InChIKeyKUAIGPJZKOFBBR-CYBMUJFWSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate (CID 164533103) is tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate is C[C@@H]1CCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate?
The InChIKey is KUAIGPJZKOFBBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-6-5-11-21(13)14-7-8-17-16(12-14)15(9-10-20-17)18(22)23-19(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate?
tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate is sourced from PubChem (CID 164533103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).