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

C22H26N8O4 — CID 14981439

IUPACethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C22H26N8O4/c1-2-33-22(32)29-9-7-15(8-10-29)30-19(26-27-28-30)4-3-11-34-16-5-6-17-14(12-16)13-18-20(23-17)25-21(31)24-18/h5-6,12-13,15H,2-4,7-11H2,1H3,(H2,23,24,25,31)
InChIKeyMDHPGRJVNSORFW-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.20
Rot. Bonds7

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

ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate (PubChem CID 14981439) has the molecular formula C22H26N8O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate
PubChem CID14981439
Molecular FormulaC22H26N8O4
Molecular Weight466.50 g/mol
Exact Mass466.21
IUPAC Nameethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C22H26N8O4/c1-2-33-22(32)29-9-7-15(8-10-29)30-19(26-27-28-30)4-3-11-34-16-5-6-17-14(12-16)13-18-20(23-17)25-21(31)24-18/h5-6,12-13,15H,2-4,7-11H2,1H3,(H2,23,24,25,31)
InChIKeyMDHPGRJVNSORFW-UHFFFAOYSA-N
XLogP2.20
TPSA143.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.20
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-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate (CID 14981439) is ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2nnnc2CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1.
What is the InChIKey of ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is MDHPGRJVNSORFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O4/c1-2-33-22(32)29-9-7-15(8-10-29)30-19(26-27-28-30)4-3-11-34-16-5-6-17-14(12-16)13-18-20(23-17)25-21(31)24-18/h5-6,12-13,15H,2-4,7-11H2,1H3,(H2,23,24,25,31).
What are the key properties of ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 466.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 14981439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).