ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate

C23H29N5O2 — CID 133448811

IUPACethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C23H29N5O2/c1-5-30-23(29)19-12-24-20-9-8-16(4)11-18(20)21(19)27-10-6-7-17(13-27)22-26-25-14-28(22)15(2)3/h8-9,11-12,14-15,17H,5-7,10,13H2,1-4H3
InChIKeyOGSUUIBKQLVCBU-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.28
Rot. Bonds5

About ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate

ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate (PubChem CID 133448811) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate
PubChem CID133448811
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Nameethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C23H29N5O2/c1-5-30-23(29)19-12-24-20-9-8-16(4)11-18(20)21(19)27-10-6-7-17(13-27)22-26-25-14-28(22)15(2)3/h8-9,11-12,14-15,17H,5-7,10,13H2,1-4H3
InChIKeyOGSUUIBKQLVCBU-UHFFFAOYSA-N
XLogP4.28
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133448316
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133384480
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133388589
(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684418
ethyl 2-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitropyridine-4-carboxylate
CID 97158585
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
ethyl 1-[3-(4-ethylphenyl)sulfonyl-6-methylquinolin-4-yl]piperidine-3-carboxylate
CID 18590206

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate (CID 133448811) is ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1N1CCCC(c2nncn2C(C)C)C1.
What is the InChIKey of ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate?
The InChIKey is OGSUUIBKQLVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-5-30-23(29)19-12-24-20-9-8-16(4)11-18(20)21(19)27-10-6-7-17(13-27)22-26-25-14-28(22)15(2)3/h8-9,11-12,14-15,17H,5-7,10,13H2,1-4H3.
What are the key properties of ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate?
ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate has a molecular weight of 407.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 133448811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).