8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

C17H21N3O — CID 66211754

IUPAC8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCc1cc2ccccc2nc1NC1C(N)C2CCCOC21
InChIInChI=1S/C17H21N3O/c1-10-9-11-5-2-3-7-13(11)19-17(10)20-15-14(18)12-6-4-8-21-16(12)15/h2-3,5,7,9,12,14-16H,4,6,8,18H2,1H3,(H,19,20)
InChIKeyOELHPMQSRSDTSJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.46
Rot. Bonds2

About 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 66211754) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID66211754
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCc1cc2ccccc2nc1NC1C(N)C2CCCOC21
InChIInChI=1S/C17H21N3O/c1-10-9-11-5-2-3-7-13(11)19-17(10)20-15-14(18)12-6-4-8-21-16(12)15/h2-3,5,7,9,12,14-16H,4,6,8,18H2,1H3,(H,19,20)
InChIKeyOELHPMQSRSDTSJ-UHFFFAOYSA-N
XLogP2.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 66211754) is 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is Cc1cc2ccccc2nc1NC1C(N)C2CCCOC21.
What is the InChIKey of 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is OELHPMQSRSDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-9-11-5-2-3-7-13(11)19-17(10)20-15-14(18)12-6-4-8-21-16(12)15/h2-3,5,7,9,12,14-16H,4,6,8,18H2,1H3,(H,19,20).
What are the key properties of 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 283.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 66211754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).