(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide

C19H17N3O3 — CID 135726830

IUPAC(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
SMILESC[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C19H17N3O3/c1-13(19(24)22-21-12-15-6-2-3-9-16(15)23)25-17-10-4-7-14-8-5-11-20-18(14)17/h2-13,23H,1H3,(H,22,24)/b21-12+/t13-/m1/s1
InChIKeyMGUWOJKUMRAJSX-LNOXHEFASA-N
MW335.36 g/mol
LogP2.86
Rot. Bonds5

About (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide

(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide (PubChem CID 135726830) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
PubChem CID135726830
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
SMILESC[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C19H17N3O3/c1-13(19(24)22-21-12-15-6-2-3-9-16(15)23)25-17-10-4-7-14-8-5-11-20-18(14)17/h2-13,23H,1H3,(H,22,24)/b21-12+/t13-/m1/s1
InChIKeyMGUWOJKUMRAJSX-LNOXHEFASA-N
XLogP2.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136914131
(2R)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135763620
(2S)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136909081
(2R)-N-[(Z)-pyridin-3-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 40543766
N-(furan-2-ylmethylideneamino)-2-quinolin-8-yloxypropanamide
CID 4612942
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
(2R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-quinolin-8-yloxypropanamide
CID 5436399
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126024146

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide?
The IUPAC name of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide (CID 135726830) is (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide?
The canonical SMILES for (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide is C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide?
The InChIKey is MGUWOJKUMRAJSX-LNOXHEFASA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(19(24)22-21-12-15-6-2-3-9-16(15)23)25-17-10-4-7-14-8-5-11-20-18(14)17/h2-13,23H,1H3,(H,22,24)/b21-12+/t13-/m1/s1.
What are the key properties of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide?
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide has a molecular weight of 335.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 135726830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).