9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C23H22N2O — CID 171970101

IUPAC9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2ccc3cccnc3c2)CC2COCC1N2Cc1ccccc1
InChIInChI=1S/C23H22N2O/c1-2-5-17(6-3-1)14-25-21-11-20(12-22(25)16-26-15-21)19-9-8-18-7-4-10-24-23(18)13-19/h1-11,13,21-22H,12,14-16H2
InChIKeyRVPDWFQFXUCSCC-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.29
Rot. Bonds3

About 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene

9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171970101) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171970101
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2ccc3cccnc3c2)CC2COCC1N2Cc1ccccc1
InChIInChI=1S/C23H22N2O/c1-2-5-17(6-3-1)14-25-21-11-20(12-22(25)16-26-15-21)19-9-8-18-7-4-10-24-23(18)13-19/h1-11,13,21-22H,12,14-16H2
InChIKeyRVPDWFQFXUCSCC-UHFFFAOYSA-N
XLogP4.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
9-benzyl-7-(2-fluoro-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972962
9-benzyl-7-(3-methyl-2-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972981
9-benzyl-7-(3-bromophenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972810
4-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)phenol
CID 171972864
9-benzyl-7-(4-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971558
9-benzyl-7-(furan-3-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171974416
9-benzyl-7-(3-methoxy-2-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971796
9-benzyl-7-(4-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971021
9-benzyl-7-[4-(2-methylpropyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171969645
9-benzyl-7-[3,5-bis(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171967453
9-benzyl-7-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171969152

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171970101) is 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene is C1=C(c2ccc3cccnc3c2)CC2COCC1N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is RVPDWFQFXUCSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-5-17(6-3-1)14-25-21-11-20(12-22(25)16-26-15-21)19-9-8-18-7-4-10-24-23(18)13-19/h1-11,13,21-22H,12,14-16H2.
What are the key properties of 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 342.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-quinolin-7-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171970101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).