(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide

C18H16N4O2 — CID 40543766

IUPAC(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
SMILESC[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C\c1cccnc1
InChIInChI=1S/C18H16N4O2/c1-13(18(23)22-21-12-14-5-3-9-19-11-14)24-16-8-2-6-15-7-4-10-20-17(15)16/h2-13H,1H3,(H,22,23)/b21-12-/t13-/m1/s1
InChIKeyNSZGBGCKPQTWRS-MUBJSKCLSA-N
MW320.35 g/mol
LogP2.55
Rot. Bonds5

About (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide

(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide (PubChem CID 40543766) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
PubChem CID40543766
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
SMILESC[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C\c1cccnc1
InChIInChI=1S/C18H16N4O2/c1-13(18(23)22-21-12-14-5-3-9-19-11-14)24-16-8-2-6-15-7-4-10-20-17(15)16/h2-13H,1H3,(H,22,23)/b21-12-/t13-/m1/s1
InChIKeyNSZGBGCKPQTWRS-MUBJSKCLSA-N
XLogP2.55
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
CID 4612942
(2R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 5436399
(2S)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136909081
(2R)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135763620
(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136914131
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108
2-quinolin-8-yloxypentan-3-one
CID 64868229
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide?
The IUPAC name of (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide (CID 40543766) is (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide?
The canonical SMILES for (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide is C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C\c1cccnc1.
What is the InChIKey of (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide?
The InChIKey is NSZGBGCKPQTWRS-MUBJSKCLSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13(18(23)22-21-12-14-5-3-9-19-11-14)24-16-8-2-6-15-7-4-10-20-17(15)16/h2-13H,1H3,(H,22,23)/b21-12-/t13-/m1/s1.
What are the key properties of (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide?
(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide has a molecular weight of 320.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 40543766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).