6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline

C18H20N2 — CID 79740687

IUPAC6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cnc2c(c1)CCC2Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H20N2/c1-3-14-6-7-16(18(14)20-10-1)12-13-5-8-17-15(11-13)4-2-9-19-17/h1,3,5,8,10-11,16,19H,2,4,6-7,9,12H2
InChIKeyGLHMTYRQJBAPRW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.71
Rot. Bonds2

About 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline

6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 79740687) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID79740687
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cnc2c(c1)CCC2Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H20N2/c1-3-14-6-7-16(18(14)20-10-1)12-13-5-8-17-15(11-13)4-2-9-19-17/h1,3,5,8,10-11,16,19H,2,4,6-7,9,12H2
InChIKeyGLHMTYRQJBAPRW-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 79740687) is 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1cnc2c(c1)CCC2Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is GLHMTYRQJBAPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-14-6-7-16(18(14)20-10-1)12-13-5-8-17-15(11-13)4-2-9-19-17/h1,3,5,8,10-11,16,19H,2,4,6-7,9,12H2.
What are the key properties of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline?
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 264.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79740687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).