1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine

C18H20N2 — CID 66419132

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(CC1Cc3ccccc31)CCC2
InChIInChI=1S/C18H20N2/c19-16-8-7-13-5-3-9-20(18(13)11-16)12-15-10-14-4-1-2-6-17(14)15/h1-2,4,6-8,11,15H,3,5,9-10,12,19H2
InChIKeyHKXQYGYXHDOMIC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.36
Rot. Bonds2

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 66419132) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID66419132
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(CC1Cc3ccccc31)CCC2
InChIInChI=1S/C18H20N2/c19-16-8-7-13-5-3-9-20(18(13)11-16)12-15-10-14-4-1-2-6-17(14)15/h1-2,4,6-8,11,15H,3,5,9-10,12,19H2
InChIKeyHKXQYGYXHDOMIC-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine (CID 66419132) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(CC1Cc3ccccc31)CCC2.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is HKXQYGYXHDOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-16-8-7-13-5-3-9-20(18(13)11-16)12-15-10-14-4-1-2-6-17(14)15/h1-2,4,6-8,11,15H,3,5,9-10,12,19H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 264.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 66419132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).