4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine

C18H16N2O — CID 83066371

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine
SMILESNc1cccc2c(Oc3ccc4c(c3)CCC4)ccnc12
InChIInChI=1S/C18H16N2O/c19-16-6-2-5-15-17(9-10-20-18(15)16)21-14-8-7-12-3-1-4-13(12)11-14/h2,5-11H,1,3-4,19H2
InChIKeyBJQPSYUUKDYPOZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.10
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine

4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine (PubChem CID 83066371) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine
PubChem CID83066371
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine
SMILESNc1cccc2c(Oc3ccc4c(c3)CCC4)ccnc12
InChIInChI=1S/C18H16N2O/c19-16-6-2-5-15-17(9-10-20-18(15)16)21-14-8-7-12-3-1-4-13(12)11-14/h2,5-11H,1,3-4,19H2
InChIKeyBJQPSYUUKDYPOZ-UHFFFAOYSA-N
XLogP4.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine (CID 83066371) is 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine is Nc1cccc2c(Oc3ccc4c(c3)CCC4)ccnc12.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine?
The InChIKey is BJQPSYUUKDYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-16-6-2-5-15-17(9-10-20-18(15)16)21-14-8-7-12-3-1-4-13(12)11-14/h2,5-11H,1,3-4,19H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine?
4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine has a molecular weight of 276.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine is sourced from PubChem (CID 83066371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).