2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline

C16H21N — CID 135060288

IUPAC2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(C1C[C@@H]3CC[C@H]1C3)N2
InChIInChI=1S/C16H21N/c1-2-4-15-12(3-1)7-8-16(17-15)14-10-11-5-6-13(14)9-11/h1-4,11,13-14,16-17H,5-10H2/t11-,13+,14?,16?/m1/s1
InChIKeyLUNMFJHIMAFYEQ-WFBWGFEFSA-N
MW227.35 g/mol
LogP3.85
Rot. Bonds1

About 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline

2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 135060288) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline
PubChem CID135060288
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(C1C[C@@H]3CC[C@H]1C3)N2
InChIInChI=1S/C16H21N/c1-2-4-15-12(3-1)7-8-16(17-15)14-10-11-5-6-13(14)9-11/h1-4,11,13-14,16-17H,5-10H2/t11-,13+,14?,16?/m1/s1
InChIKeyLUNMFJHIMAFYEQ-WFBWGFEFSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline (CID 135060288) is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CCC(C1C[C@@H]3CC[C@H]1C3)N2.
What is the InChIKey of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LUNMFJHIMAFYEQ-WFBWGFEFSA-N. The full InChI is InChI=1S/C16H21N/c1-2-4-15-12(3-1)7-8-16(17-15)14-10-11-5-6-13(14)9-11/h1-4,11,13-14,16-17H,5-10H2/t11-,13+,14?,16?/m1/s1.
What are the key properties of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline?
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 227.35 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 135060288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).