[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C23H26N4O — CID 92606138

IUPAC[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c1-26(2)16-18-7-5-6-14-27(18)23(28)20-15-22(17-10-12-24-13-11-17)25-21-9-4-3-8-19(20)21/h3-4,8-13,15,18H,5-7,14,16H2,1-2H3/t18-/m0/s1
InChIKeyVEEDXJYRQYAEPD-SFHVURJKSA-N
MW374.49 g/mol
LogP3.85
Rot. Bonds4

About [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 92606138) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID92606138
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c1-26(2)16-18-7-5-6-14-27(18)23(28)20-15-22(17-10-12-24-13-11-17)25-21-9-4-3-8-19(20)21/h3-4,8-13,15,18H,5-7,14,16H2,1-2H3/t18-/m0/s1
InChIKeyVEEDXJYRQYAEPD-SFHVURJKSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone 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

N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
[2-(3,4-difluorophenyl)quinolin-4-yl]-[(2R)-2-[[ethyl(pyrrolidin-1-yl)amino]methyl]pyrrolidin-1-yl]methanone
CID 20583402
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97190536
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97190537
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 95047048
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 92606138) is [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is CN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is VEEDXJYRQYAEPD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26(2)16-18-7-5-6-14-27(18)23(28)20-15-22(17-10-12-24-13-11-17)25-21-9-4-3-8-19(20)21/h3-4,8-13,15,18H,5-7,14,16H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 92606138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).