[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

C25H26N2O5 — CID 37235552

IUPAC[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2nc(C)c(C(=O)OCC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2c1
InChIInChI=1S/C25H26N2O5/c1-15(2)11-24(29)27-19-7-5-17(6-8-19)23(28)14-32-25(30)21-13-18-12-20(31-4)9-10-22(18)26-16(21)3/h5-10,12-13,15H,11,14H2,1-4H3,(H,27,29)
InChIKeyNPHCDJUUKRUJAJ-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.58
Rot. Bonds8

About [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 37235552) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
PubChem CID37235552
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc2nc(C)c(C(=O)OCC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2c1
InChIInChI=1S/C25H26N2O5/c1-15(2)11-24(29)27-19-7-5-17(6-8-19)23(28)14-32-25(30)21-13-18-12-20(31-4)9-10-22(18)26-16(21)3/h5-10,12-13,15H,11,14H2,1-4H3,(H,27,29)
InChIKeyNPHCDJUUKRUJAJ-UHFFFAOYSA-N
XLogP4.58
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate with MolForge

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Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7988018
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-methylbenzoate
CID 7971861
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42985823
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 4790264
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
CID 7797215
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-bromobenzoate
CID 7663009
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065062
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 46826151
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228533
[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676207

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (CID 37235552) is [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is COc1ccc2nc(C)c(C(=O)OCC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2c1.
What is the InChIKey of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is NPHCDJUUKRUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-15(2)11-24(29)27-19-7-5-17(6-8-19)23(28)14-32-25(30)21-13-18-12-20(31-4)9-10-22(18)26-16(21)3/h5-10,12-13,15H,11,14H2,1-4H3,(H,27,29).
What are the key properties of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 434.49 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 37235552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).