7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline

C19H21N — CID 90882640

IUPAC7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESC1=CC2=C(C=1)CC(Cc1ccc3c(c1)NCCC3)CC2
InChIInChI=1S/C19H21N/c1-3-16-8-6-14(12-18(16)4-1)11-15-7-9-17-5-2-10-20-19(17)13-15/h3-4,7,9,13-14,20H,2,5-6,8,10-12H2
InChIKeyJAQRBJTYYHNJMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.41
Rot. Bonds2

About 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline

7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 90882640) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID90882640
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESC1=CC2=C(C=1)CC(Cc1ccc3c(c1)NCCC3)CC2
InChIInChI=1S/C19H21N/c1-3-16-8-6-14(12-18(16)4-1)11-15-7-9-17-5-2-10-20-19(17)13-15/h3-4,7,9,13-14,20H,2,5-6,8,10-12H2
InChIKeyJAQRBJTYYHNJMR-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 90882640) is 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline is C1=CC2=C(C=1)CC(Cc1ccc3c(c1)NCCC3)CC2.
What is the InChIKey of 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JAQRBJTYYHNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-3-16-8-6-14(12-18(16)4-1)11-15-7-9-17-5-2-10-20-19(17)13-15/h3-4,7,9,13-14,20H,2,5-6,8,10-12H2.
What are the key properties of 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 263.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5,6,7-tetrahydroinden-5-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 90882640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).