N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide

C21H23N3O2 — CID 170943229

IUPACN-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide
SMILESO=C(Cc1ccc2ncccc2c1)NC1=CCN(C2CCOCC2)C=C1
InChIInChI=1S/C21H23N3O2/c25-21(15-16-3-4-20-17(14-16)2-1-9-22-20)23-18-5-10-24(11-6-18)19-7-12-26-13-8-19/h1-6,9-10,14,19H,7-8,11-13,15H2,(H,23,25)
InChIKeyURGYQUKOUBDDTJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide

N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide (PubChem CID 170943229) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide
PubChem CID170943229
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide
SMILESO=C(Cc1ccc2ncccc2c1)NC1=CCN(C2CCOCC2)C=C1
InChIInChI=1S/C21H23N3O2/c25-21(15-16-3-4-20-17(14-16)2-1-9-22-20)23-18-5-10-24(11-6-18)19-7-12-26-13-8-19/h1-6,9-10,14,19H,7-8,11-13,15H2,(H,23,25)
InChIKeyURGYQUKOUBDDTJ-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
CID 139347848
6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
CID 110090986
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027
2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 21356519
(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 54018599
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone
CID 171908847
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
3-(quinolin-6-ylmethyl)oxane-3-carboxylic acid
CID 103719490
N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
CID 154848531
N-[1-[6-(pyridine-2-carbonyl)-3-bicyclo[3.1.0]hexanyl]imidazol-4-yl]-2-quinolin-6-ylacetamide
CID 22025996

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide?
The IUPAC name of N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide (CID 170943229) is N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide?
The canonical SMILES for N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide is O=C(Cc1ccc2ncccc2c1)NC1=CCN(C2CCOCC2)C=C1.
What is the InChIKey of N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide?
The InChIKey is URGYQUKOUBDDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(15-16-3-4-20-17(14-16)2-1-9-22-20)23-18-5-10-24(11-6-18)19-7-12-26-13-8-19/h1-6,9-10,14,19H,7-8,11-13,15H2,(H,23,25).
What are the key properties of N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide?
N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-2H-pyridin-4-yl]-2-quinolin-6-ylacetamide is sourced from PubChem (CID 170943229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).