(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline

C19H22N2 — CID 153287566

IUPAC(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
SMILESCN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C
InChIInChI=1S/C19H22N2/c1-19-14-21(15-8-4-3-5-9-15)18-11-7-6-10-16(18)17(19)12-13-20(19)2/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1
InChIKeyGFOKIOIABHCPTK-PKOBYXMFSA-N
MW278.40 g/mol
LogP4.02
Rot. Bonds1

About (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline

(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline (PubChem CID 153287566) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
PubChem CID153287566
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
SMILESCN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C
InChIInChI=1S/C19H22N2/c1-19-14-21(15-8-4-3-5-9-15)18-11-7-6-10-16(18)17(19)12-13-20(19)2/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1
InChIKeyGFOKIOIABHCPTK-PKOBYXMFSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline?
The IUPAC name of (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline (CID 153287566) is (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline.
What is the SMILES notation for (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline?
The canonical SMILES for (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline is CN1CC[C@H]2c3ccccc3N(c3ccccc3)C[C@]21C.
What is the InChIKey of (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline?
The InChIKey is GFOKIOIABHCPTK-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H22N2/c1-19-14-21(15-8-4-3-5-9-15)18-11-7-6-10-16(18)17(19)12-13-20(19)2/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline?
(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline has a molecular weight of 278.40 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline is sourced from PubChem (CID 153287566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).