N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide

C24H25N3O3 — CID 152824249

IUPACN-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide
SMILESC=COc1ccc(C2(CNC(=O)c3cnnc4ccccc34)CCCC2)cc1OC
InChIInChI=1S/C24H25N3O3/c1-3-30-21-11-10-17(14-22(21)29-2)24(12-6-7-13-24)16-25-23(28)19-15-26-27-20-9-5-4-8-18(19)20/h3-5,8-11,14-15H,1,6-7,12-13,16H2,2H3,(H,25,28)
InChIKeySUMXHWSRAMPLGV-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.40
Rot. Bonds7

About N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide

N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide (PubChem CID 152824249) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide
PubChem CID152824249
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide
SMILESC=COc1ccc(C2(CNC(=O)c3cnnc4ccccc34)CCCC2)cc1OC
InChIInChI=1S/C24H25N3O3/c1-3-30-21-11-10-17(14-22(21)29-2)24(12-6-7-13-24)16-25-23(28)19-15-26-27-20-9-5-4-8-18(19)20/h3-5,8-11,14-15H,1,6-7,12-13,16H2,2H3,(H,25,28)
InChIKeySUMXHWSRAMPLGV-UHFFFAOYSA-N
XLogP4.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
CID 113090881
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2870147
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 67545489
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1322060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide?
The IUPAC name of N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide (CID 152824249) is N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide.
What is the SMILES notation for N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide?
The canonical SMILES for N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide is C=COc1ccc(C2(CNC(=O)c3cnnc4ccccc34)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide?
The InChIKey is SUMXHWSRAMPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-30-21-11-10-17(14-22(21)29-2)24(12-6-7-13-24)16-25-23(28)19-15-26-27-20-9-5-4-8-18(19)20/h3-5,8-11,14-15H,1,6-7,12-13,16H2,2H3,(H,25,28).
What are the key properties of N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide?
N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethenoxy-3-methoxyphenyl)cyclopentyl]methyl]cinnoline-4-carboxamide is sourced from PubChem (CID 152824249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).