ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate

C23H30N6O4 — CID 3187211

IUPACethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2CCOC)CC1
InChIInChI=1S/C23H30N6O4/c1-4-33-23(31)16-7-9-28(10-8-16)20(21-25-26-27-29(21)11-12-32-3)18-14-17-6-5-15(2)13-19(17)24-22(18)30/h5-6,13-14,16,20H,4,7-12H2,1-3H3,(H,24,30)
InChIKeyDSOYUSSLMRDWGB-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.83
Rot. Bonds8

About ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate

ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 3187211) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
PubChem CID3187211
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Nameethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2CCOC)CC1
InChIInChI=1S/C23H30N6O4/c1-4-33-23(31)16-7-9-28(10-8-16)20(21-25-26-27-29(21)11-12-32-3)18-14-17-6-5-15(2)13-19(17)24-22(18)30/h5-6,13-14,16,20H,4,7-12H2,1-3H3,(H,24,30)
InChIKeyDSOYUSSLMRDWGB-UHFFFAOYSA-N
XLogP1.83
TPSA115.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 40594054
3-[(4-benzhydrylpiperazin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3150077
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 7116827
3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3695231
7-methoxy-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 4985118
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3150079
7-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 7273007
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-[(S)-(6-ethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 25411198
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-[(R)-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 28608440
3-[(R)-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 28503427

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate (CID 3187211) is ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2CCOC)CC1.
What is the InChIKey of ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DSOYUSSLMRDWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-4-33-23(31)16-7-9-28(10-8-16)20(21-25-26-27-29(21)11-12-32-3)18-14-17-6-5-15(2)13-19(17)24-22(18)30/h5-6,13-14,16,20H,4,7-12H2,1-3H3,(H,24,30).
What are the key properties of ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 3187211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).