N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide

C16H19N3O — CID 115573545

IUPACN-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C16H19N3O/c20-16(13-5-6-13)18-10-9-17-11-14-8-7-12-3-1-2-4-15(12)19-14/h1-4,7-8,13,17H,5-6,9-11H2,(H,18,20)
InChIKeyRWOVGQSQRQXZSU-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide

N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115573545) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
PubChem CID115573545
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C16H19N3O/c20-16(13-5-6-13)18-10-9-17-11-14-8-7-12-3-1-2-4-15(12)19-14/h1-4,7-8,13,17H,5-6,9-11H2,(H,18,20)
InChIKeyRWOVGQSQRQXZSU-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923
2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide
CID 15906970
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
1-cyclopropyl-2-(quinolin-2-ylmethylamino)ethanol
CID 63298862

Frequently Asked Questions

What is the IUPAC name of N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide (CID 115573545) is N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNCc1ccc2ccccc2n1)C1CC1.
What is the InChIKey of N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is RWOVGQSQRQXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-5-6-13)18-10-9-17-11-14-8-7-12-3-1-2-4-15(12)19-14/h1-4,7-8,13,17H,5-6,9-11H2,(H,18,20).
What are the key properties of N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115573545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).