ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate

C26H32N6O5 — CID 3183718

IUPACethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C26H32N6O5/c1-2-35-26(34)16-8-10-31(11-9-16)23(24-28-29-30-32(24)18-6-4-3-5-7-18)19-12-17-13-21-22(37-15-36-21)14-20(17)27-25(19)33/h12-14,16,18,23H,2-11,15H2,1H3,(H,27,33)
InChIKeyYZRROJUIPHGNMR-UHFFFAOYSA-N
MW508.58 g/mol
LogP3.11
Rot. Bonds6

About ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate (PubChem CID 3183718) has the molecular formula C26H32N6O5 and a molecular weight of 508.58 g/mol. Its IUPAC name is ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate
PubChem CID3183718
Molecular FormulaC26H32N6O5
Molecular Weight508.58 g/mol
Exact Mass508.24
IUPAC Nameethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C26H32N6O5/c1-2-35-26(34)16-8-10-31(11-9-16)23(24-28-29-30-32(24)18-6-4-3-5-7-18)19-12-17-13-21-22(37-15-36-21)14-20(17)27-25(19)33/h12-14,16,18,23H,2-11,15H2,1H3,(H,27,33)
InChIKeyYZRROJUIPHGNMR-UHFFFAOYSA-N
XLogP3.11
TPSA124.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

7-[(R)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161088
ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 3183447
7-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-hydroxypiperidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6551268
7-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6551286
7-[(1-cyclohexyltetrazol-5-yl)-(4-propylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183628
7-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161107
7-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-propylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161035
7-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6551301
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
7-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161013
7-[(1-cyclohexyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183702
8-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1161399

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate (CID 3183718) is ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate?
The InChIKey is YZRROJUIPHGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O5/c1-2-35-26(34)16-8-10-31(11-9-16)23(24-28-29-30-32(24)18-6-4-3-5-7-18)19-12-17-13-21-22(37-15-36-21)14-20(17)27-25(19)33/h12-14,16,18,23H,2-11,15H2,1H3,(H,27,33).
What are the key properties of ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate has a molecular weight of 508.58 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 3183718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).