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

C25H32N6O5 — CID 1159747

IUPACethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1
InChIInChI=1S/C25H32N6O5/c1-3-35-25(33)16-8-10-30(11-9-16)22(23-27-28-29-31(23)15-19-5-4-12-36-19)20-14-17-13-18(34-2)6-7-21(17)26-24(20)32/h6-7,13-14,16,19,22H,3-5,8-12,15H2,1-2H3,(H,26,32)/t19-,22-/m0/s1
InChIKeyZKBAXLJXNYPIAZ-UGKGYDQZSA-N
MW496.57 g/mol
LogP2.07
Rot. Bonds8

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

ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 1159747) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID1159747
Molecular FormulaC25H32N6O5
Molecular Weight496.57 g/mol
Exact Mass496.24
IUPAC Nameethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1
InChIInChI=1S/C25H32N6O5/c1-3-35-25(33)16-8-10-30(11-9-16)22(23-27-28-29-31(23)15-19-5-4-12-36-19)20-14-17-13-18(34-2)6-7-21(17)26-24(20)32/h6-7,13-14,16,19,22H,3-5,8-12,15H2,1-2H3,(H,26,32)/t19-,22-/m0/s1
InChIKeyZKBAXLJXNYPIAZ-UGKGYDQZSA-N
XLogP2.07
TPSA124.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

6-methoxy-3-[(R)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1147983
6-methoxy-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1147993
7-methoxy-3-[(R)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1145902
3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1148073
ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 1074520
3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3183406
3-[(R)-3,4-dihydro-1H-isoquinolin-2-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1148122
3-[(S)-(4-cyclohexylpiperazin-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160133
6-ethyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 3176678
7-methoxy-3-[(S)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145974
7-methoxy-3-[(S)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145977
3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 3183307

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of 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) is ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1.
What is the InChIKey of ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is ZKBAXLJXNYPIAZ-UGKGYDQZSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-3-35-25(33)16-8-10-30(11-9-16)22(23-27-28-29-31(23)15-19-5-4-12-36-19)20-14-17-13-18(34-2)6-7-21(17)26-24(20)32/h6-7,13-14,16,19,22H,3-5,8-12,15H2,1-2H3,(H,26,32)/t19-,22-/m0/s1.
What are the key properties of ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 496.57 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(S)-(6-methoxy-2-oxo-1H-quinolin-3-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1159747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).