7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine

C18H16N2 — CID 81228640

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
SMILESNC(c1ccc2ncccc2c1)C1Cc2ccccc21
InChIInChI=1S/C18H16N2/c19-18(16-11-12-4-1-2-6-15(12)16)14-7-8-17-13(10-14)5-3-9-20-17/h1-10,16,18H,11,19H2
InChIKeyAXNCAEQUFKFXCB-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.57
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine (PubChem CID 81228640) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
PubChem CID81228640
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
SMILESNC(c1ccc2ncccc2c1)C1Cc2ccccc21
InChIInChI=1S/C18H16N2/c19-18(16-11-12-4-1-2-6-15(12)16)14-7-8-17-13(10-14)5-3-9-20-17/h1-10,16,18H,11,19H2
InChIKeyAXNCAEQUFKFXCB-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine with MolForge

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Related Compounds

cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(naphthalen-2-yl)methanamine
CID 79732489
2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
CID 65041727
(1,4-dimethylpiperazin-2-yl)-quinolin-6-ylmethanamine
CID 81231152
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
CID 64984334
(1S)-1-quinolin-6-ylprop-2-en-1-amine
CID 130700290
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
CID 105224736
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
CID 64987016
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine (CID 81228640) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine is NC(c1ccc2ncccc2c1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine?
The InChIKey is AXNCAEQUFKFXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-18(16-11-12-4-1-2-6-15(12)16)14-7-8-17-13(10-14)5-3-9-20-17/h1-10,16,18H,11,19H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine is sourced from PubChem (CID 81228640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).