2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide

C20H21N3O2 — CID 59028879

IUPAC2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyVHWUIGKXSDDVNN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.19
Rot. Bonds4

About 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide

2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide (PubChem CID 59028879) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide
PubChem CID59028879
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyVHWUIGKXSDDVNN-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
CID 143593030
N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
CID 89312883
N-(6-phenylmethoxyquinolin-8-yl)propanamide
CID 67574564
N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]acetamide
CID 143592971
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide
CID 143593150
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962
N-(6-methoxyquinolin-8-yl)cyclohexanecarboxamide
CID 684971
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577350
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide (CID 59028879) is 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide is CC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12.
What is the InChIKey of 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide?
The InChIKey is VHWUIGKXSDDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14/h4-12H,13H2,1-3H3,(H,23,24).
What are the key properties of 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide?
2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide is sourced from PubChem (CID 59028879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).