ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate

C24H32N6O4 — CID 1074520

IUPACethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C24H32N6O4/c1-6-34-23(32)15-9-11-29(12-10-15)20(21-26-27-28-30(21)24(2,3)4)18-14-16-13-17(33-5)7-8-19(16)25-22(18)31/h7-8,13-15,20H,6,9-12H2,1-5H3,(H,25,31)/t20-/m0/s1
InChIKeyYJHWVNNCAVNVTL-FQEVSTJZSA-N
MW468.56 g/mol
LogP2.64
Rot. Bonds6

About ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 1074520) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
PubChem CID1074520
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Nameethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C24H32N6O4/c1-6-34-23(32)15-9-11-29(12-10-15)20(21-26-27-28-30(21)24(2,3)4)18-14-16-13-17(33-5)7-8-19(16)25-22(18)31/h7-8,13-15,20H,6,9-12H2,1-5H3,(H,25,31)/t20-/m0/s1
InChIKeyYJHWVNNCAVNVTL-FQEVSTJZSA-N
XLogP2.64
TPSA115.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-tert-butyltetrazol-5-yl)-(4-hydroxypiperidin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 3150349
3-[(R)-(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 1074509
ethyl 1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 1157683
ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 1160790
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159649
3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 3150414
ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 1159747
ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 1074291
ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 3183447
3-[(S)-(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1074515
ethyl 1-[(S)-(6-ethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 25411198
6-ethoxy-3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1160226

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate (CID 1074520) is ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is YJHWVNNCAVNVTL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-6-34-23(32)15-9-11-29(12-10-15)20(21-26-27-28-30(21)24(2,3)4)18-14-16-13-17(33-5)7-8-19(16)25-22(18)31/h7-8,13-15,20H,6,9-12H2,1-5H3,(H,25,31)/t20-/m0/s1.
What are the key properties of ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 468.56 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1074520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).