N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide

C16H17N3O — CID 114693848

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cccc2cccnc12
InChIInChI=1S/C16H17N3O/c20-16(19-11-12-6-9-17-10-7-12)14-5-1-3-13-4-2-8-18-15(13)14/h1-6,8,17H,7,9-11H2,(H,19,20)
InChIKeyKQSCFWOLSQCJOI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.88
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide (PubChem CID 114693848) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
PubChem CID114693848
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cccc2cccnc12
InChIInChI=1S/C16H17N3O/c20-16(19-11-12-6-9-17-10-7-12)14-5-1-3-13-4-2-8-18-15(13)14/h1-6,8,17H,7,9-11H2,(H,19,20)
InChIKeyKQSCFWOLSQCJOI-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]quinoline-8-carboxamide
CID 11396455
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 131737120
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide (CID 114693848) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide is O=C(NCC1=CCNCC1)c1cccc2cccnc12.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide?
The InChIKey is KQSCFWOLSQCJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-11-12-6-9-17-10-7-12)14-5-1-3-13-4-2-8-18-15(13)14/h1-6,8,17H,7,9-11H2,(H,19,20).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide is sourced from PubChem (CID 114693848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).