2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide

C16H20N4O — CID 63884282

IUPAC2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
SMILESNC(=O)c1cc(NCCC2CCNC2)nc2ccccc12
InChIInChI=1S/C16H20N4O/c17-16(21)13-9-15(19-8-6-11-5-7-18-10-11)20-14-4-2-1-3-12(13)14/h1-4,9,11,18H,5-8,10H2,(H2,17,21)(H,19,20)
InChIKeyZTOHBLBDSCXOCS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide

2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide (PubChem CID 63884282) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
PubChem CID63884282
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
SMILESNC(=O)c1cc(NCCC2CCNC2)nc2ccccc12
InChIInChI=1S/C16H20N4O/c17-16(21)13-9-15(19-8-6-11-5-7-18-10-11)20-14-4-2-1-3-12(13)14/h1-4,9,11,18H,5-8,10H2,(H2,17,21)(H,19,20)
InChIKeyZTOHBLBDSCXOCS-UHFFFAOYSA-N
XLogP1.75
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
CID 63886225
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
CID 63885442
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
CID 65226681
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623074
4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 137119936
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide?
The IUPAC name of 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide (CID 63884282) is 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide is NC(=O)c1cc(NCCC2CCNC2)nc2ccccc12.
What is the InChIKey of 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide?
The InChIKey is ZTOHBLBDSCXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(21)13-9-15(19-8-6-11-5-7-18-10-11)20-14-4-2-1-3-12(13)14/h1-4,9,11,18H,5-8,10H2,(H2,17,21)(H,19,20).
What are the key properties of 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide?
2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide is sourced from PubChem (CID 63884282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).