7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C21H25N7O2 — CID 14281027

IUPAC7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=c1[nH]c2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3nc2[nH]1
InChIInChI=1S/C21H25N7O2/c29-21-23-18-13-14-12-16(9-10-17(14)22-20(18)24-21)30-11-5-4-8-19-25-26-27-28(19)15-6-2-1-3-7-15/h9-10,12-13,15H,1-8,11H2,(H2,22,23,24,29)
InChIKeyJAODEWCDRHAJPF-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.30
Rot. Bonds7

About 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 14281027) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID14281027
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=c1[nH]c2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3nc2[nH]1
InChIInChI=1S/C21H25N7O2/c29-21-23-18-13-14-12-16(9-10-17(14)22-20(18)24-21)30-11-5-4-8-19-25-26-27-28(19)15-6-2-1-3-7-15/h9-10,12-13,15H,1-8,11H2,(H2,22,23,24,29)
InChIKeyJAODEWCDRHAJPF-UHFFFAOYSA-N
XLogP3.30
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole
CID 12852452
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67172975
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one;phosphoric acid
CID 56963281
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281011
7-[3-(1-cyclohexyltetrazol-5-yl)propoxy]-4-methylchromen-2-one
CID 51057055
5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11726587
4-(2-cyclohexylethyl)-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70092553
2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate
CID 21289996
1-(4-chlorobutanoyl)-6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-2H-quinoline-2-carbaldehyde
CID 174635743
3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171725
ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
CID 15005639

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 14281027) is 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=c1[nH]c2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3nc2[nH]1.
What is the InChIKey of 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is JAODEWCDRHAJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c29-21-23-18-13-14-12-16(9-10-17(14)22-20(18)24-21)30-11-5-4-8-19-25-26-27-28(19)15-6-2-1-3-7-15/h9-10,12-13,15H,1-8,11H2,(H2,22,23,24,29).
What are the key properties of 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 407.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 14281027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).