N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide

C23H24N4O3 — CID 95812995

IUPACN,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc([C@@H]2CN(C(=O)Cc3ccccn3)CCO2)nc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-26(2)23(29)18-14-20(25-19-9-4-3-8-17(18)19)21-15-27(11-12-30-21)22(28)13-16-7-5-6-10-24-16/h3-10,14,21H,11-13,15H2,1-2H3/t21-/m0/s1
InChIKeyKXOZJWHWKGBCEC-NRFANRHFSA-N
MW404.47 g/mol
LogP2.47
Rot. Bonds4

About N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide

N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 95812995) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID95812995
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc([C@@H]2CN(C(=O)Cc3ccccn3)CCO2)nc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-26(2)23(29)18-14-20(25-19-9-4-3-8-17(18)19)21-15-27(11-12-30-21)22(28)13-16-7-5-6-10-24-16/h3-10,14,21H,11-13,15H2,1-2H3/t21-/m0/s1
InChIKeyKXOZJWHWKGBCEC-NRFANRHFSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide 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-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
N,N-dimethyl-2-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638317
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
N,N-dimethyl-2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638391
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638296
2-[(2R)-4-(diethylsulfamoyl)morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638952
N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92639254
N,N-dimethyl-2-[4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251734
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110251738
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
[(2R)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 92639213

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide (CID 95812995) is N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide is CN(C)C(=O)c1cc([C@@H]2CN(C(=O)Cc3ccccn3)CCO2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is KXOZJWHWKGBCEC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26(2)23(29)18-14-20(25-19-9-4-3-8-17(18)19)21-15-27(11-12-30-21)22(28)13-16-7-5-6-10-24-16/h3-10,14,21H,11-13,15H2,1-2H3/t21-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 95812995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).