(6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline

C22H18ClN — CID 134982568

IUPAC(6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
SMILESClc1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C22H18ClN/c23-16-10-11-20-18(13-16)21-17-9-5-4-8-15(17)12-19(21)22(24-20)14-6-2-1-3-7-14/h1-11,13,19,21-22,24H,12H2/t19-,21-,22-/m0/s1
InChIKeyRKYBSHPGVMBGCS-BVSLBCMMSA-N
MW331.85 g/mol
LogP5.81
Rot. Bonds1

About (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline

(6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline (PubChem CID 134982568) has the molecular formula C22H18ClN and a molecular weight of 331.85 g/mol. Its IUPAC name is (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name(6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
PubChem CID134982568
Molecular FormulaC22H18ClN
Molecular Weight331.85 g/mol
Exact Mass331.11
IUPAC Name(6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
SMILESClc1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C22H18ClN/c23-16-10-11-20-18(13-16)21-17-9-5-4-8-15(17)12-19(21)22(24-20)14-6-2-1-3-7-14/h1-11,13,19,21-22,24H,12H2/t19-,21-,22-/m0/s1
InChIKeyRKYBSHPGVMBGCS-BVSLBCMMSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.85
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-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 (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The IUPAC name of (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline (CID 134982568) is (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline.
What is the SMILES notation for (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The canonical SMILES for (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline is Clc1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1)N2.
What is the InChIKey of (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The InChIKey is RKYBSHPGVMBGCS-BVSLBCMMSA-N. The full InChI is InChI=1S/C22H18ClN/c23-16-10-11-20-18(13-16)21-17-9-5-4-8-15(17)12-19(21)22(24-20)14-6-2-1-3-7-14/h1-11,13,19,21-22,24H,12H2/t19-,21-,22-/m0/s1.
What are the key properties of (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
(6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline has a molecular weight of 331.85 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aS,11bS)-2-chloro-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline is sourced from PubChem (CID 134982568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).