N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C21H21N3O3 — CID 72939169

IUPACN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H]1COC[C@@H]1O
InChIInChI=1S/C21H21N3O3/c1-2-24(19-12-27-13-20(19)25)21(26)16-11-18(14-7-9-22-10-8-14)23-17-6-4-3-5-15(16)17/h3-11,19-20,25H,2,12-13H2,1H3/t19-,20-/m0/s1
InChIKeyJTHUVKOJELWIMJ-PMACEKPBSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds4

About N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 72939169) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID72939169
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H]1COC[C@@H]1O
InChIInChI=1S/C21H21N3O3/c1-2-24(19-12-27-13-20(19)25)21(26)16-11-18(14-7-9-22-10-8-14)23-17-6-4-3-5-15(16)17/h3-11,19-20,25H,2,12-13H2,1H3/t19-,20-/m0/s1
InChIKeyJTHUVKOJELWIMJ-PMACEKPBSA-N
XLogP2.52
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72923146
N-ethyl-N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43017642
(4-hydroxy-1,2-oxazolidin-2-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 72856534
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135113691
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 72939169) is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H]1COC[C@@H]1O.
What is the InChIKey of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JTHUVKOJELWIMJ-PMACEKPBSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-24(19-12-27-13-20(19)25)21(26)16-11-18(14-7-9-22-10-8-14)23-17-6-4-3-5-15(16)17/h3-11,19-20,25H,2,12-13H2,1H3/t19-,20-/m0/s1.
What are the key properties of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 72939169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).