N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide

C15H17N3O — CID 55126983

IUPACN-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
SMILESO=C(NCCNC1CC1)c1cccc2cccnc12
InChIInChI=1S/C15H17N3O/c19-15(18-10-9-16-12-6-7-12)13-5-1-3-11-4-2-8-17-14(11)13/h1-5,8,12,16H,6-7,9-10H2,(H,18,19)
InChIKeyZYFNYCMIMBDOGO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide

N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide (PubChem CID 55126983) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
PubChem CID55126983
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
SMILESO=C(NCCNC1CC1)c1cccc2cccnc12
InChIInChI=1S/C15H17N3O/c19-15(18-10-9-16-12-6-7-12)13-5-1-3-11-4-2-8-17-14(11)13/h1-5,8,12,16H,6-7,9-10H2,(H,18,19)
InChIKeyZYFNYCMIMBDOGO-UHFFFAOYSA-N
XLogP1.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.72
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-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-[[(2S)-5-(2-hydroxyethylamino)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692195
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 131737120

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide (CID 55126983) is N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide is O=C(NCCNC1CC1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide?
The InChIKey is ZYFNYCMIMBDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(18-10-9-16-12-6-7-12)13-5-1-3-11-4-2-8-17-14(11)13/h1-5,8,12,16H,6-7,9-10H2,(H,18,19).
What are the key properties of N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide?
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 55126983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).