3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline

C22H24N2O4 — CID 124863691

IUPAC3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
SMILESc1cc2c(cc1O[C@@H]1CCCCO1)nnc1cc(O[C@@H]3CCCCO3)ccc12
InChIInChI=1S/C22H24N2O4/c1-3-11-25-21(5-1)27-15-7-9-17-18-10-8-16(28-22-6-2-4-12-26-22)14-20(18)24-23-19(17)13-15/h7-10,13-14,21-22H,1-6,11-12H2/t21-,22-/m1/s1
InChIKeyUCJCXWLJKXAHSH-FGZHOGPDSA-N
MW380.44 g/mol
LogP4.59
Rot. Bonds4

About 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline

3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline (PubChem CID 124863691) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline.

Molecular Properties

Compound Name3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
PubChem CID124863691
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
SMILESc1cc2c(cc1O[C@@H]1CCCCO1)nnc1cc(O[C@@H]3CCCCO3)ccc12
InChIInChI=1S/C22H24N2O4/c1-3-11-25-21(5-1)27-15-7-9-17-18-10-8-16(28-22-6-2-4-12-26-22)14-20(18)24-23-19(17)13-15/h7-10,13-14,21-22H,1-6,11-12H2/t21-,22-/m1/s1
InChIKeyUCJCXWLJKXAHSH-FGZHOGPDSA-N
XLogP4.59
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenoxy)oxane
CID 10987441
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
CID 143834486
CID 143834486
2-(3-bromophenoxy)oxane
CID 5067264
3-iodo-7-(oxan-2-yloxy)chromen-4-one
CID 16756484
5-(oxan-2-yloxy)-1-benzofuran
CID 67340749
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791

Frequently Asked Questions

What is the IUPAC name of 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline?
The IUPAC name of 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline (CID 124863691) is 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline.
What is the SMILES notation for 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline?
The canonical SMILES for 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline is c1cc2c(cc1O[C@@H]1CCCCO1)nnc1cc(O[C@@H]3CCCCO3)ccc12.
What is the InChIKey of 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline?
The InChIKey is UCJCXWLJKXAHSH-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-11-25-21(5-1)27-15-7-9-17-18-10-8-16(28-22-6-2-4-12-26-22)14-20(18)24-23-19(17)13-15/h7-10,13-14,21-22H,1-6,11-12H2/t21-,22-/m1/s1.
What are the key properties of 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline?
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline has a molecular weight of 380.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline is sourced from PubChem (CID 124863691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).