ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate

C24H32N2O5 — CID 143904124

IUPACethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2ccc(C)cc2c1=O
InChIInChI=1S/C24H32N2O5/c1-6-30-22(28)19-15-26(20-10-9-16(2)12-18(20)21(19)27)14-17-8-7-11-25(13-17)23(29)31-24(3,4)5/h9-10,12,15,17H,6-8,11,13-14H2,1-5H3/t17-/m1/s1
InChIKeyOENCJOKHJDUHPR-QGZVFWFLSA-N
MW428.53 g/mol
LogP4.13
Rot. Bonds4

About ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate

ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate (PubChem CID 143904124) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
PubChem CID143904124
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Nameethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2ccc(C)cc2c1=O
InChIInChI=1S/C24H32N2O5/c1-6-30-22(28)19-15-26(20-10-9-16(2)12-18(20)21(19)27)14-17-8-7-11-25(13-17)23(29)31-24(3,4)5/h9-10,12,15,17H,6-8,11,13-14H2,1-5H3/t17-/m1/s1
InChIKeyOENCJOKHJDUHPR-QGZVFWFLSA-N
XLogP4.13
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-ethyl-1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
CID 90773821
ethyl 6-iodo-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
CID 59416158
ethyl 1-ethyl-6-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]prop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 57402914
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
tert-butyl 4-[2-(cyclopropylmethyl)-6-methyl-1-oxoisoquinolin-4-yl]sulfonyl-1,4-diazepane-1-carboxylate
CID 143969015
tert-butyl 3-[(6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 21090321
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
tert-butyl (3R)-3-[(1,3-dioxoisoindol-2-yl)methyl]piperidine-1-carboxylate
CID 146286092
tert-butyl 3-[(2-cyano-5-methylphenoxy)methyl]piperidine-1-carboxylate
CID 166513835
tert-butyl 3-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 111434428
tert-butyl (5aR,10bS)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indole-2-carboxylate
CID 140575490
tert-butyl 3-[(5-methylimidazol-1-yl)methyl]azepane-1-carboxylate
CID 101211732

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate (CID 143904124) is ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2ccc(C)cc2c1=O.
What is the InChIKey of ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate?
The InChIKey is OENCJOKHJDUHPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-6-30-22(28)19-15-26(20-10-9-16(2)12-18(20)21(19)27)14-17-8-7-11-25(13-17)23(29)31-24(3,4)5/h9-10,12,15,17H,6-8,11,13-14H2,1-5H3/t17-/m1/s1.
What are the key properties of ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate?
ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 143904124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).