2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide

C22H23N3O5 — CID 146000177

IUPAC2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide
SMILESCC(Oc1ccc2ncccc2c1)C(=O)N/N=C/c1cc(CO)c(CO)c(CO)c1
InChIInChI=1S/C22H23N3O5/c1-14(30-19-4-5-21-16(9-19)3-2-6-23-21)22(29)25-24-10-15-7-17(11-26)20(13-28)18(8-15)12-27/h2-10,14,26-28H,11-13H2,1H3,(H,25,29)/b24-10+
InChIKeyCAQMZGJXKMKRHA-YSURURNPSA-N
MW409.44 g/mol
LogP1.63
Rot. Bonds8

About 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide

2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide (PubChem CID 146000177) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide.

Molecular Properties

Compound Name2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide
PubChem CID146000177
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide
SMILESCC(Oc1ccc2ncccc2c1)C(=O)N/N=C/c1cc(CO)c(CO)c(CO)c1
InChIInChI=1S/C22H23N3O5/c1-14(30-19-4-5-21-16(9-19)3-2-6-23-21)22(29)25-24-10-15-7-17(11-26)20(13-28)18(8-15)12-27/h2-10,14,26-28H,11-13H2,1H3,(H,25,29)/b24-10+
InChIKeyCAQMZGJXKMKRHA-YSURURNPSA-N
XLogP1.63
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
N-(2-aminoethyl)-2-quinolin-6-yloxypropanamide
CID 75357317
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44664247
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
tert-butyl N-[(2S,3R)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 6585117
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide?
The IUPAC name of 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide (CID 146000177) is 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide.
What is the SMILES notation for 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide?
The canonical SMILES for 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide is CC(Oc1ccc2ncccc2c1)C(=O)N/N=C/c1cc(CO)c(CO)c(CO)c1.
What is the InChIKey of 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide?
The InChIKey is CAQMZGJXKMKRHA-YSURURNPSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(30-19-4-5-21-16(9-19)3-2-6-23-21)22(29)25-24-10-15-7-17(11-26)20(13-28)18(8-15)12-27/h2-10,14,26-28H,11-13H2,1H3,(H,25,29)/b24-10+.
What are the key properties of 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide?
2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide has a molecular weight of 409.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-yloxy-N-[(E)-[3,4,5-tris(hydroxymethyl)phenyl]methylideneamino]propanamide is sourced from PubChem (CID 146000177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).