N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

C29H22ClN3O3 — CID 126028085

IUPACN-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C29H22ClN3O3/c30-25-12-4-2-8-22(25)18-35-26-15-14-20-7-1-3-11-23(20)24(26)17-32-33-28(34)19-36-27-13-5-9-21-10-6-16-31-29(21)27/h1-17H,18-19H2,(H,33,34)/b32-17+
InChIKeyKQIVJCZHQQEEOC-VTNSRFBWSA-N
MW495.97 g/mol
LogP6.15
Rot. Bonds8

About N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126028085) has the molecular formula C29H22ClN3O3 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID126028085
Molecular FormulaC29H22ClN3O3
Molecular Weight495.97 g/mol
Exact Mass495.13
IUPAC NameN-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C29H22ClN3O3/c30-25-12-4-2-8-22(25)18-35-26-15-14-20-7-1-3-11-23(20)24(26)17-32-33-28(34)19-36-27-13-5-9-21-10-6-16-31-29(21)27/h1-17H,18-19H2,(H,33,34)/b32-17+
InChIKeyKQIVJCZHQQEEOC-VTNSRFBWSA-N
XLogP6.15
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 56.15
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-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 3733649
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
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205540
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6161143
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136900787
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126028085) is N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is KQIVJCZHQQEEOC-VTNSRFBWSA-N. The full InChI is InChI=1S/C29H22ClN3O3/c30-25-12-4-2-8-22(25)18-35-26-15-14-20-7-1-3-11-23(20)24(26)17-32-33-28(34)19-36-27-13-5-9-21-10-6-16-31-29(21)27/h1-17H,18-19H2,(H,33,34)/b32-17+.
What are the key properties of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 495.97 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126028085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).