ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate

C23H28N8O4 — CID 14981443

IUPACethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2CCCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C23H28N8O4/c1-2-34-23(33)30-10-8-16(9-11-30)31-20(27-28-29-31)5-3-4-12-35-17-6-7-18-15(13-17)14-19-21(24-18)26-22(32)25-19/h6-7,13-14,16H,2-5,8-12H2,1H3,(H2,24,25,26,32)
InChIKeyIKNFPZMSRMDNRJ-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.59
Rot. Bonds8

About ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate

ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate (PubChem CID 14981443) has the molecular formula C23H28N8O4 and a molecular weight of 480.53 g/mol. Its IUPAC name is ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate
PubChem CID14981443
Molecular FormulaC23H28N8O4
Molecular Weight480.53 g/mol
Exact Mass480.22
IUPAC Nameethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2CCCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C23H28N8O4/c1-2-34-23(33)30-10-8-16(9-11-30)31-20(27-28-29-31)5-3-4-12-35-17-6-7-18-15(13-17)14-19-21(24-18)26-22(32)25-19/h6-7,13-14,16H,2-5,8-12H2,1H3,(H2,24,25,26,32)
InChIKeyIKNFPZMSRMDNRJ-UHFFFAOYSA-N
XLogP2.59
TPSA143.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate (CID 14981443) is ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2nnnc2CCCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1.
What is the InChIKey of ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is IKNFPZMSRMDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O4/c1-2-34-23(33)30-10-8-16(9-11-30)31-20(27-28-29-31)5-3-4-12-35-17-6-7-18-15(13-17)14-19-21(24-18)26-22(32)25-19/h6-7,13-14,16H,2-5,8-12H2,1H3,(H2,24,25,26,32).
What are the key properties of ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 480.53 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 14981443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).