(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline

C18H20N2 — CID 153287553

IUPAC(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
SMILESC[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2
InChIInChI=1S/C18H20N2/c1-18-13-20(14-7-3-2-4-8-14)17-10-6-5-9-15(17)16(18)11-12-19-18/h2-10,16,19H,11-13H2,1H3/t16-,18+/m0/s1
InChIKeyOHCPINQLTJGNRS-FUHWJXTLSA-N
MW264.37 g/mol
LogP3.67
Rot. Bonds1

About (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline

(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline (PubChem CID 153287553) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
PubChem CID153287553
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
SMILESC[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2
InChIInChI=1S/C18H20N2/c1-18-13-20(14-7-3-2-4-8-14)17-10-6-5-9-15(17)16(18)11-12-19-18/h2-10,16,19H,11-13H2,1H3/t16-,18+/m0/s1
InChIKeyOHCPINQLTJGNRS-FUHWJXTLSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline 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 (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
The IUPAC name of (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline (CID 153287553) is (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline.
What is the SMILES notation for (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
The canonical SMILES for (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline is C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2.
What is the InChIKey of (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
The InChIKey is OHCPINQLTJGNRS-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H20N2/c1-18-13-20(14-7-3-2-4-8-14)17-10-6-5-9-15(17)16(18)11-12-19-18/h2-10,16,19H,11-13H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline has a molecular weight of 264.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 153287553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).