[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate

C18H22N2O4 — CID 16581486

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)c1ccc2cc(OC)ccc2n1
InChIInChI=1S/C18H22N2O4/c1-4-5-12(2)19-17(21)11-24-18(22)16-8-6-13-10-14(23-3)7-9-15(13)20-16/h6-10,12H,4-5,11H2,1-3H3,(H,19,21)
InChIKeySGRRDAMEPYEPHR-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.70
Rot. Bonds7

About [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate

[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate (PubChem CID 16581486) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate
PubChem CID16581486
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)c1ccc2cc(OC)ccc2n1
InChIInChI=1S/C18H22N2O4/c1-4-5-12(2)19-17(21)11-24-18(22)16-8-6-13-10-14(23-3)7-9-15(13)20-16/h6-10,12H,4-5,11H2,1-3H3,(H,19,21)
InChIKeySGRRDAMEPYEPHR-UHFFFAOYSA-N
XLogP2.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717059
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] quinoline-2-carboxylate
CID 16540465
N-ethyl-6-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 24586114
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
CID 61490000
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[2-oxo-2-(pentan-2-ylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 18074008
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2524285
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-bromo-4-methoxybenzoate
CID 7647895

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate (CID 16581486) is [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate is CCCC(C)NC(=O)COC(=O)c1ccc2cc(OC)ccc2n1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate?
The InChIKey is SGRRDAMEPYEPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-5-12(2)19-17(21)11-24-18(22)16-8-6-13-10-14(23-3)7-9-15(13)20-16/h6-10,12H,4-5,11H2,1-3H3,(H,19,21).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 16581486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).