N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide

C20H19N3O3 — CID 50798394

IUPACN-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC1COCCO1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C20H19N3O3/c24-20(22-12-14-13-25-9-10-26-14)16-11-19(18-7-3-4-8-21-18)23-17-6-2-1-5-15(16)17/h1-8,11,14H,9-10,12-13H2,(H,22,24)
InChIKeyIBAHECBQXLRJLN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.44
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 50798394) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID50798394
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC1COCCO1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C20H19N3O3/c24-20(22-12-14-13-25-9-10-26-14)16-11-19(18-7-3-4-8-21-18)23-17-6-2-1-5-15(16)17/h1-8,11,14H,9-10,12-13H2,(H,22,24)
InChIKeyIBAHECBQXLRJLN-UHFFFAOYSA-N
XLogP2.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 50798394) is N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCC1COCCO1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is IBAHECBQXLRJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(22-12-14-13-25-9-10-26-14)16-11-19(18-7-3-4-8-21-18)23-17-6-2-1-5-15(16)17/h1-8,11,14H,9-10,12-13H2,(H,22,24).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).