cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate

C18H19NO3 — CID 138585007

IUPACcyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate
SMILESO=C(OC1CCC1)c1ccc(OC2CCC2)c2ncccc12
InChIInChI=1S/C18H19NO3/c20-18(22-13-6-2-7-13)15-9-10-16(21-12-4-1-5-12)17-14(15)8-3-11-19-17/h3,8-13H,1-2,4-7H2
InChIKeyJYGHUQWJUUBGCS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.88
Rot. Bonds4

About cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate

cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate (PubChem CID 138585007) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate.

Molecular Properties

Compound Namecyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate
PubChem CID138585007
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namecyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate
SMILESO=C(OC1CCC1)c1ccc(OC2CCC2)c2ncccc12
InChIInChI=1S/C18H19NO3/c20-18(22-13-6-2-7-13)15-9-10-16(21-12-4-1-5-12)17-14(15)8-3-11-19-17/h3,8-13H,1-2,4-7H2
InChIKeyJYGHUQWJUUBGCS-UHFFFAOYSA-N
XLogP3.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclopropyloxyquinolin-5-amine
CID 156698468
3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid
CID 134430194
ethyl 4-cyclohexyloxynaphthalene-1-carboxylate
CID 174623624
methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
CID 59335917
ethyl 8-butoxyquinoline-5-carboxylate
CID 96709879
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
8-(3,4-dimethylcyclohexyl)oxyquinolin-5-amine
CID 64746086
cyclobutyl 2-(methylamino)benzoate
CID 62217404
piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone
CID 96708630
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
CID 96709887
8-ethoxyquinoline-5-carbohydrazide
CID 84613958

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate?
The IUPAC name of cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate (CID 138585007) is cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate.
What is the SMILES notation for cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate?
The canonical SMILES for cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate is O=C(OC1CCC1)c1ccc(OC2CCC2)c2ncccc12.
What is the InChIKey of cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate?
The InChIKey is JYGHUQWJUUBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(22-13-6-2-7-13)15-9-10-16(21-12-4-1-5-12)17-14(15)8-3-11-19-17/h3,8-13H,1-2,4-7H2.
What are the key properties of cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate?
cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate is sourced from PubChem (CID 138585007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).