ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate

C26H30N6O4 — CID 1471336

IUPACethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](c2cc3cc(CC)ccc3[nH]c2=O)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C26H30N6O4/c1-3-17-7-8-22-19(14-17)15-21(25(33)27-22)23(31-11-9-18(10-12-31)26(34)35-4-2)24-28-29-30-32(24)16-20-6-5-13-36-20/h5-8,13-15,18,23H,3-4,9-12,16H2,1-2H3,(H,27,33)/t23-/m1/s1
InChIKeyVGJCOOVBBVTUKC-HSZRJFAPSA-N
MW490.56 g/mol
LogP3.08
Rot. Bonds8

About ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 1471336) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID1471336
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Nameethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](c2cc3cc(CC)ccc3[nH]c2=O)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C26H30N6O4/c1-3-17-7-8-22-19(14-17)15-21(25(33)27-22)23(31-11-9-18(10-12-31)26(34)35-4-2)24-28-29-30-32(24)16-20-6-5-13-36-20/h5-8,13-15,18,23H,3-4,9-12,16H2,1-2H3,(H,27,33)/t23-/m1/s1
InChIKeyVGJCOOVBBVTUKC-HSZRJFAPSA-N
XLogP3.08
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 3195851
3-[(S)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1471251
6-ethyl-3-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 1471263
ethyl 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate
CID 3183722
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3195741
ethyl 1-[(S)-(6-ethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 25411198
3-[(R)-(1-benzyltetrazol-5-yl)-piperidin-1-ylmethyl]-6-ethyl-1H-quinolin-2-one
CID 1148307
6-ethyl-3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-hydroxypiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 6551139
3-[(R)-(4-benzylpiperidin-1-yl)-(1-benzyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 40595291
ethyl 1-[(1-benzyltetrazol-5-yl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 3182858
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
3-[(R)-(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 1148327

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate (CID 1471336) is ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@H](c2cc3cc(CC)ccc3[nH]c2=O)c2nnnn2Cc2ccco2)CC1.
What is the InChIKey of ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is VGJCOOVBBVTUKC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-3-17-7-8-22-19(14-17)15-21(25(33)27-22)23(31-11-9-18(10-12-31)26(34)35-4-2)24-28-29-30-32(24)16-20-6-5-13-36-20/h5-8,13-15,18,23H,3-4,9-12,16H2,1-2H3,(H,27,33)/t23-/m1/s1.
What are the key properties of ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1471336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).