1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline

C20H21F2N3O2 — CID 135324981

IUPAC1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline
SMILESCOC1CC(c2nc3cnc4ccccc4c3n2C2CCOCC2(F)F)C1
InChIInChI=1S/C20H21F2N3O2/c1-26-13-8-12(9-13)19-24-16-10-23-15-5-3-2-4-14(15)18(16)25(19)17-6-7-27-11-20(17,21)22/h2-5,10,12-13,17H,6-9,11H2,1H3
InChIKeyLLXSAXPFLZLZSN-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.07
Rot. Bonds3

About 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline

1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline (PubChem CID 135324981) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline
PubChem CID135324981
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline
SMILESCOC1CC(c2nc3cnc4ccccc4c3n2C2CCOCC2(F)F)C1
InChIInChI=1S/C20H21F2N3O2/c1-26-13-8-12(9-13)19-24-16-10-23-15-5-3-2-4-14(15)18(16)25(19)17-6-7-27-11-20(17,21)22/h2-5,10,12-13,17H,6-9,11H2,1H3
InChIKeyLLXSAXPFLZLZSN-UHFFFAOYSA-N
XLogP4.07
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline (CID 135324981) is 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline is COC1CC(c2nc3cnc4ccccc4c3n2C2CCOCC2(F)F)C1.
What is the InChIKey of 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline?
The InChIKey is LLXSAXPFLZLZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-26-13-8-12(9-13)19-24-16-10-23-15-5-3-2-4-14(15)18(16)25(19)17-6-7-27-11-20(17,21)22/h2-5,10,12-13,17H,6-9,11H2,1H3.
What are the key properties of 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline?
1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline has a molecular weight of 373.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 135324981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).