[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

C28H26N2O3 — CID 23938963

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1
InChIInChI=1S/C28H26N2O3/c1-19-13-15-30(16-14-19)27(31)18-33-28(32)24-17-26(29-25-12-5-4-10-23(24)25)22-11-6-8-20-7-2-3-9-21(20)22/h2-12,17,19H,13-16,18H2,1H3
InChIKeyRZLNBXAVIPKPRD-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.47
Rot. Bonds4

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (PubChem CID 23938963) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
PubChem CID23938963
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1
InChIInChI=1S/C28H26N2O3/c1-19-13-15-30(16-14-19)27(31)18-33-28(32)24-17-26(29-25-12-5-4-10-23(24)25)22-11-6-8-20-7-2-3-9-21(20)22/h2-12,17,19H,13-16,18H2,1H3
InChIKeyRZLNBXAVIPKPRD-UHFFFAOYSA-N
XLogP5.47
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23936357
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780545
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780546
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009944
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2569270
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23831631
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (CID 23938963) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is CC1CCN(C(=O)COC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The InChIKey is RZLNBXAVIPKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-19-13-15-30(16-14-19)27(31)18-33-28(32)24-17-26(29-25-12-5-4-10-23(24)25)22-11-6-8-20-7-2-3-9-21(20)22/h2-12,17,19H,13-16,18H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is sourced from PubChem (CID 23938963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).