[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

C25H30N2O4 — CID 4031723

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)c3ccccc3n2)o1
InChIInChI=1S/C25H30N2O4/c1-16(2)13-27(14-17(3)4)24(28)15-30-25(29)20-12-22(23-11-10-18(5)31-23)26-21-9-7-6-8-19(20)21/h6-12,16-17H,13-15H2,1-5H3
InChIKeyAPGDFEWPQXHONT-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.10
Rot. Bonds8

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 4031723) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID4031723
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)c3ccccc3n2)o1
InChIInChI=1S/C25H30N2O4/c1-16(2)13-27(14-17(3)4)24(28)15-30-25(29)20-12-22(23-11-10-18(5)31-23)26-21-9-7-6-8-19(20)21/h6-12,16-17H,13-15H2,1-5H3
InChIKeyAPGDFEWPQXHONT-UHFFFAOYSA-N
XLogP5.10
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3882869
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
[2-(4-bromophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5114690
[2-(4-chlorophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4271505
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2635528
[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 31100397
(2-oxo-2-thiophen-2-ylethyl) 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2575744
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3940714
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4801663
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 8751097

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 4031723) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)c3ccccc3n2)o1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is APGDFEWPQXHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-16(2)13-27(14-17(3)4)24(28)15-30-25(29)20-12-22(23-11-10-18(5)31-23)26-21-9-7-6-8-19(20)21/h6-12,16-17H,13-15H2,1-5H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 4031723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).