6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine

C14H17N3O — CID 82725325

IUPAC6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine
SMILESCC1OCCC1Nc1ccc2ncccc2c1N
InChIInChI=1S/C14H17N3O/c1-9-11(6-8-18-9)17-13-5-4-12-10(14(13)15)3-2-7-16-12/h2-5,7,9,11,17H,6,8,15H2,1H3
InChIKeyBYIWWIYYBLBSLZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.41
Rot. Bonds2

About 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine

6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine (PubChem CID 82725325) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine
PubChem CID82725325
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine
SMILESCC1OCCC1Nc1ccc2ncccc2c1N
InChIInChI=1S/C14H17N3O/c1-9-11(6-8-18-9)17-13-5-4-12-10(14(13)15)3-2-7-16-12/h2-5,7,9,11,17H,6,8,15H2,1H3
InChIKeyBYIWWIYYBLBSLZ-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine (CID 82725325) is 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine is CC1OCCC1Nc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine?
The InChIKey is BYIWWIYYBLBSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-11(6-8-18-9)17-13-5-4-12-10(14(13)15)3-2-7-16-12/h2-5,7,9,11,17H,6,8,15H2,1H3.
What are the key properties of 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine?
6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methyloxolan-3-yl)quinoline-5,6-diamine is sourced from PubChem (CID 82725325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).