N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide

C16H19N3O — CID 81478211

IUPACN-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCC1CCNC1)c1ccnc2ccccc12
InChIInChI=1S/C16H19N3O/c20-16(19-9-6-12-5-8-17-11-12)14-7-10-18-15-4-2-1-3-13(14)15/h1-4,7,10,12,17H,5-6,8-9,11H2,(H,19,20)
InChIKeyYBPXXPFFJKVDJR-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide

N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide (PubChem CID 81478211) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
PubChem CID81478211
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCC1CCNC1)c1ccnc2ccccc12
InChIInChI=1S/C16H19N3O/c20-16(19-9-6-12-5-8-17-11-12)14-7-10-18-15-4-2-1-3-13(14)15/h1-4,7,10,12,17H,5-6,8-9,11H2,(H,19,20)
InChIKeyYBPXXPFFJKVDJR-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
CID 112835510
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride
CID 119535235
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]pyridine-2-carboxamide
CID 119535290

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide (CID 81478211) is N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide is O=C(NCCC1CCNC1)c1ccnc2ccccc12.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide?
The InChIKey is YBPXXPFFJKVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(19-9-6-12-5-8-17-11-12)14-7-10-18-15-4-2-1-3-13(14)15/h1-4,7,10,12,17H,5-6,8-9,11H2,(H,19,20).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide?
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 81478211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).