methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate

C26H28N2O6 — CID 55572641

IUPACmethyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CCCC1
InChIInChI=1S/C26H28N2O6/c1-31-21-13-16(14-22(32-2)23(21)33-3)20-15-18(17-9-5-6-10-19(17)27-20)24(29)28-26(25(30)34-4)11-7-8-12-26/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,28,29)
InChIKeyGVASJBSRDFLHIA-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.14
Rot. Bonds7

About methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55572641) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID55572641
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Namemethyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CCCC1
InChIInChI=1S/C26H28N2O6/c1-31-21-13-16(14-22(32-2)23(21)33-3)20-15-18(17-9-5-6-10-19(17)27-20)24(29)28-26(25(30)34-4)11-7-8-12-26/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,28,29)
InChIKeyGVASJBSRDFLHIA-UHFFFAOYSA-N
XLogP4.14
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78881229
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55534009
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate (CID 55572641) is methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CCCC1.
What is the InChIKey of methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is GVASJBSRDFLHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-31-21-13-16(14-22(32-2)23(21)33-3)20-15-18(17-9-5-6-10-19(17)27-20)24(29)28-26(25(30)34-4)11-7-8-12-26/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,28,29).
What are the key properties of methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55572641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).