2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide

C23H23N5O — CID 163809657

IUPAC2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
SMILESO=C(CN(CC1=NC=CCC1)Cc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C23H23N5O/c29-22(27-21-11-5-7-18-8-6-14-26-23(18)21)17-28(15-19-9-1-3-12-24-19)16-20-10-2-4-13-25-20/h1,3-9,11-14H,2,10,15-17H2,(H,27,29)
InChIKeyNMCYMWMIYYZOKT-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.82
Rot. Bonds7

About 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide

2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide (PubChem CID 163809657) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
PubChem CID163809657
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
SMILESO=C(CN(CC1=NC=CCC1)Cc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C23H23N5O/c29-22(27-21-11-5-7-18-8-6-14-26-23(18)21)17-28(15-19-9-1-3-12-24-19)16-20-10-2-4-13-25-20/h1,3-9,11-14H,2,10,15-17H2,(H,27,29)
InChIKeyNMCYMWMIYYZOKT-UHFFFAOYSA-N
XLogP3.82
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 155804068
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
5-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109191143
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108953424
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide (CID 163809657) is 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide is O=C(CN(CC1=NC=CCC1)Cc1ccccn1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
The InChIKey is NMCYMWMIYYZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-22(27-21-11-5-7-18-8-6-14-26-23(18)21)17-28(15-19-9-1-3-12-24-19)16-20-10-2-4-13-25-20/h1,3-9,11-14H,2,10,15-17H2,(H,27,29).
What are the key properties of 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide?
2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide has a molecular weight of 385.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydropyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 163809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).