3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide

C28H26N4O6 — CID 3920678

IUPAC3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1OC
InChIInChI=1S/C28H26N4O6/c1-36-22-13-12-21(15-24(22)37-2)27(34)30-16-25(33)31-32-28(35)20-10-8-18(9-11-20)17-38-23-7-3-5-19-6-4-14-29-26(19)23/h3-15H,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)
InChIKeyLHBPDGABANYWFR-UHFFFAOYSA-N
MW514.54 g/mol
LogP3.02
Rot. Bonds9

About 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide (PubChem CID 3920678) has the molecular formula C28H26N4O6 and a molecular weight of 514.54 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide
PubChem CID3920678
Molecular FormulaC28H26N4O6
Molecular Weight514.54 g/mol
Exact Mass514.19
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1OC
InChIInChI=1S/C28H26N4O6/c1-36-22-13-12-21(15-24(22)37-2)27(34)30-16-25(33)31-32-28(35)20-10-8-18(9-11-20)17-38-23-7-3-5-19-6-4-14-29-26(19)23/h3-15H,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)
InChIKeyLHBPDGABANYWFR-UHFFFAOYSA-N
XLogP3.02
TPSA127.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide
CID 2340885
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 2368203
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
N-[2-[2-(4-ethylbenzoyl)hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601375

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide (CID 3920678) is 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide?
The InChIKey is LHBPDGABANYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O6/c1-36-22-13-12-21(15-24(22)37-2)27(34)30-16-25(33)31-32-28(35)20-10-8-18(9-11-20)17-38-23-7-3-5-19-6-4-14-29-26(19)23/h3-15H,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,32,35).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide has a molecular weight of 514.54 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).