[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate

C28H27NO4 — CID 23762011

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc3cc(OC)ccc3c2)c1CC
InChIInChI=1S/C28H27NO4/c1-4-8-24-22(5-2)27(23-9-6-7-10-25(23)29-24)28(31)33-17-26(30)20-12-11-19-16-21(32-3)14-13-18(19)15-20/h6-7,9-16H,4-5,8,17H2,1-3H3
InChIKeyPDBUBAREYGAKPV-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.95
Rot. Bonds8

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 23762011) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID23762011
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc3cc(OC)ccc3c2)c1CC
InChIInChI=1S/C28H27NO4/c1-4-8-24-22(5-2)27(23-9-6-7-10-25(23)29-24)28(31)33-17-26(30)20-12-11-19-16-21(32-3)14-13-18(19)15-20/h6-7,9-16H,4-5,8,17H2,1-3H3
InChIKeyPDBUBAREYGAKPV-UHFFFAOYSA-N
XLogP5.95
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2632086
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2112514
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7875368
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2436151
[2-(2-bromoanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23770399
[2-(3-methoxyphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2146251
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786608
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2103211
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668089
[2-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2103507

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate (CID 23762011) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc3cc(OC)ccc3c2)c1CC.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is PDBUBAREYGAKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-4-8-24-22(5-2)27(23-9-6-7-10-25(23)29-24)28(31)33-17-26(30)20-12-11-19-16-21(32-3)14-13-18(19)15-20/h6-7,9-16H,4-5,8,17H2,1-3H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 23762011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).