6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide

C22H26N4O2 — CID 143593150

IUPAC6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide
SMILESCNCCCCCC(=O)Nc1cc(OCc2cccnc2)cc2cccnc12
InChIInChI=1S/C22H26N4O2/c1-23-10-4-2-3-9-21(27)26-20-14-19(13-18-8-6-12-25-22(18)20)28-16-17-7-5-11-24-15-17/h5-8,11-15,23H,2-4,9-10,16H2,1H3,(H,26,27)
InChIKeyXJRVVVOVTMEGIB-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.93
Rot. Bonds10

About 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide

6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide (PubChem CID 143593150) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide.

Molecular Properties

Compound Name6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide
PubChem CID143593150
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide
SMILESCNCCCCCC(=O)Nc1cc(OCc2cccnc2)cc2cccnc12
InChIInChI=1S/C22H26N4O2/c1-23-10-4-2-3-9-21(27)26-20-14-19(13-18-8-6-12-25-22(18)20)28-16-17-7-5-11-24-15-17/h5-8,11-15,23H,2-4,9-10,16H2,1H3,(H,26,27)
InChIKeyXJRVVVOVTMEGIB-UHFFFAOYSA-N
XLogP3.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]acetamide
CID 143592971
N-(6-phenylmethoxyquinolin-8-yl)propanamide
CID 67574564
N'-(6-methoxyquinolin-8-yl)-N-[3-[6-[3-[[4-[(6-methoxyquinolin-8-yl)amino]-4-oxobutanoyl]amino]propylamino]hexylamino]propyl]butanediamide
CID 164627794
2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide
CID 59028879
methyl 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoate
CID 68545365
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
CID 68544848
methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
CID 30853271
N'-(6-methoxyquinolin-8-yl)-N-[3-[7-[3-[[4-[(6-methoxyquinolin-8-yl)amino]-4-oxobutanoyl]amino]propylamino]heptylamino]propyl]butanediamide;bis(2,2,2-trifluoroacetic acid)
CID 164615597
ethane;N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
CID 143593030
N-quinolin-8-ylundecanamide
CID 3567928
N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]formamide
CID 89312883

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide?
The IUPAC name of 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide (CID 143593150) is 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide.
What is the SMILES notation for 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide?
The canonical SMILES for 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide is CNCCCCCC(=O)Nc1cc(OCc2cccnc2)cc2cccnc12.
What is the InChIKey of 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide?
The InChIKey is XJRVVVOVTMEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-23-10-4-2-3-9-21(27)26-20-14-19(13-18-8-6-12-25-22(18)20)28-16-17-7-5-11-24-15-17/h5-8,11-15,23H,2-4,9-10,16H2,1H3,(H,26,27).
What are the key properties of 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide?
6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide has a molecular weight of 378.48 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]hexanamide is sourced from PubChem (CID 143593150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).