N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

C29H21Cl2N3O3 — CID 3733649

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C29H21Cl2N3O3/c30-22-12-10-21(25(31)15-22)17-36-26-13-11-19-5-1-2-8-23(19)24(26)16-33-34-28(35)18-37-27-9-3-6-20-7-4-14-32-29(20)27/h1-16H,17-18H2,(H,34,35)
InChIKeySPYGAEBULFFYEW-UHFFFAOYSA-N
MW530.41 g/mol
LogP6.80
Rot. Bonds8

About N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 3733649) has the molecular formula C29H21Cl2N3O3 and a molecular weight of 530.41 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID3733649
Molecular FormulaC29H21Cl2N3O3
Molecular Weight530.41 g/mol
Exact Mass529.10
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C29H21Cl2N3O3/c30-22-12-10-21(25(31)15-22)17-36-26-13-11-19-5-1-2-8-23(19)24(26)16-33-34-28(35)18-37-27-9-3-6-20-7-4-14-32-29(20)27/h1-16H,17-18H2,(H,34,35)
InChIKeySPYGAEBULFFYEW-UHFFFAOYSA-N
XLogP6.80
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.41
LogP ≤ 56.80
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

N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028085
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030148
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023683
N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030174
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135738463
[1-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6060146
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126029705
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030921
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135837461
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136900787

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (CID 3733649) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is SPYGAEBULFFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21Cl2N3O3/c30-22-12-10-21(25(31)15-22)17-36-26-13-11-19-5-1-2-8-23(19)24(26)16-33-34-28(35)18-37-27-9-3-6-20-7-4-14-32-29(20)27/h1-16H,17-18H2,(H,34,35).
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 530.41 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 3733649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).