[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate

C22H26N2O3 — CID 18273323

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C22H26N2O3/c1-4-18-21(15(3)17-12-8-9-13-19(17)23-18)22(26)27-14-20(25)24(5-2)16-10-6-7-11-16/h8-10,12-13H,4-7,11,14H2,1-3H3
InChIKeyDINZETKSGSTMNS-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.18
Rot. Bonds6

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 18273323) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID18273323
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C22H26N2O3/c1-4-18-21(15(3)17-12-8-9-13-19(17)23-18)22(26)27-14-20(25)24(5-2)16-10-6-7-11-16/h8-10,12-13H,4-7,11,14H2,1-3H3
InChIKeyDINZETKSGSTMNS-UHFFFAOYSA-N
XLogP4.18
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907
[2-(dimethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2092337
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502520
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668089
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501896
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 24598754
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8011238
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502572
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate (CID 18273323) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(CC)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is DINZETKSGSTMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-18-21(15(3)17-12-8-9-13-19(17)23-18)22(26)27-14-20(25)24(5-2)16-10-6-7-11-16/h8-10,12-13H,4-7,11,14H2,1-3H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 18273323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).