2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide

C23H19N3O2 — CID 2867106

IUPAC2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccc2cccnc12
InChIInChI=1S/C23H19N3O2/c1-16(28-21-12-11-17-6-2-3-7-19(17)14-21)23(27)26-25-15-20-9-4-8-18-10-5-13-24-22(18)20/h2-16H,1H3,(H,26,27)
InChIKeyQKDUREBJHYCBEZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.31
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide

2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide (PubChem CID 2867106) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
PubChem CID2867106
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccc2cccnc12
InChIInChI=1S/C23H19N3O2/c1-16(28-21-12-11-17-6-2-3-7-19(17)14-21)23(27)26-25-15-20-9-4-8-18-10-5-13-24-22(18)20/h2-16H,1H3,(H,26,27)
InChIKeyQKDUREBJHYCBEZ-UHFFFAOYSA-N
XLogP4.31
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 136849957
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44666494
(2S)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136909081
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 3542949
tert-butyl N-[(2R,3S)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 51553758

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide (CID 2867106) is 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide is CC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccc2cccnc12.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide?
The InChIKey is QKDUREBJHYCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(28-21-12-11-17-6-2-3-7-19(17)14-21)23(27)26-25-15-20-9-4-8-18-10-5-13-24-22(18)20/h2-16H,1H3,(H,26,27).
What are the key properties of 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide?
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide has a molecular weight of 369.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide is sourced from PubChem (CID 2867106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).