N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

C23H26N4O2 — CID 30471048

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C23H26N4O2/c1-16-14-27(15-17(2)29-16)12-11-25-23(28)20-13-22(18-7-9-24-10-8-18)26-21-6-4-3-5-19(20)21/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,25,28)/t16-,17-/m1/s1
InChIKeyJLLNRTYKGZWTOH-IAGOWNOFSA-N
MW390.49 g/mol
LogP3.14
Rot. Bonds5

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 30471048) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID30471048
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C23H26N4O2/c1-16-14-27(15-17(2)29-16)12-11-25-23(28)20-13-22(18-7-9-24-10-8-18)26-21-6-4-3-5-19(20)21/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,25,28)/t16-,17-/m1/s1
InChIKeyJLLNRTYKGZWTOH-IAGOWNOFSA-N
XLogP3.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 30471048) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is C[C@@H]1CN(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JLLNRTYKGZWTOH-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-14-27(15-17(2)29-16)12-11-25-23(28)20-13-22(18-7-9-24-10-8-18)26-21-6-4-3-5-19(20)21/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,25,28)/t16-,17-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 30471048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).