N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide

C16H19N3O — CID 175792257

IUPACN-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide
SMILESCCc1cc(C(=O)NCC2CNC2)c2ncccc2c1
InChIInChI=1S/C16H19N3O/c1-2-11-6-13-4-3-5-18-15(13)14(7-11)16(20)19-10-12-8-17-9-12/h3-7,12,17H,2,8-10H2,1H3,(H,19,20)
InChIKeyGOBCYQMZSCGSOU-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide

N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide (PubChem CID 175792257) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide
PubChem CID175792257
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide
SMILESCCc1cc(C(=O)NCC2CNC2)c2ncccc2c1
InChIInChI=1S/C16H19N3O/c1-2-11-6-13-4-3-5-18-15(13)14(7-11)16(20)19-10-12-8-17-9-12/h3-7,12,17H,2,8-10H2,1H3,(H,19,20)
InChIKeyGOBCYQMZSCGSOU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide
CID 167327527
6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide
CID 175792326
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
6-ethyl-N-(2-hydroxyethyl)-N-phenylquinoline-8-carboxamide
CID 175792354
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 131737120
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
8-bromo-6-ethylquinoline
CID 19381206
6-methoxy-N-(2-methoxyethyl)quinoline-8-carboxamide
CID 175792430
N-(piperidin-3-ylmethyl)quinoxaline-5-carboxamide
CID 104615453
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide (CID 175792257) is N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide is CCc1cc(C(=O)NCC2CNC2)c2ncccc2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide?
The InChIKey is GOBCYQMZSCGSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-11-6-13-4-3-5-18-15(13)14(7-11)16(20)19-10-12-8-17-9-12/h3-7,12,17H,2,8-10H2,1H3,(H,19,20).
What are the key properties of N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide?
N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide is sourced from PubChem (CID 175792257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).