(6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline

C24H22ClN — CID 134983208

IUPAC(6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
SMILESCc1cc(Cl)c(C)c2c1N[C@@H](c1ccccc1)[C@H]1Cc3ccccc3[C@@H]21
InChIInChI=1S/C24H22ClN/c1-14-12-20(25)15(2)21-22-18-11-7-6-10-17(18)13-19(22)24(26-23(14)21)16-8-4-3-5-9-16/h3-12,19,22,24,26H,13H2,1-2H3/t19-,22+,24-/m0/s1
InChIKeyDJBOKQKRKQVYTC-KWOQKUFVSA-N
MW359.90 g/mol
LogP6.43
Rot. Bonds1

About (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline

(6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline (PubChem CID 134983208) has the molecular formula C24H22ClN and a molecular weight of 359.90 g/mol. Its IUPAC name is (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name(6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
PubChem CID134983208
Molecular FormulaC24H22ClN
Molecular Weight359.90 g/mol
Exact Mass359.14
IUPAC Name(6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
SMILESCc1cc(Cl)c(C)c2c1N[C@@H](c1ccccc1)[C@H]1Cc3ccccc3[C@@H]21
InChIInChI=1S/C24H22ClN/c1-14-12-20(25)15(2)21-22-18-11-7-6-10-17(18)13-19(22)24(26-23(14)21)16-8-4-3-5-9-16/h3-12,19,22,24,26H,13H2,1-2H3/t19-,22+,24-/m0/s1
InChIKeyDJBOKQKRKQVYTC-KWOQKUFVSA-N
XLogP6.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The IUPAC name of (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline (CID 134983208) is (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline.
What is the SMILES notation for (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The canonical SMILES for (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline is Cc1cc(Cl)c(C)c2c1N[C@@H](c1ccccc1)[C@H]1Cc3ccccc3[C@@H]21.
What is the InChIKey of (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The InChIKey is DJBOKQKRKQVYTC-KWOQKUFVSA-N. The full InChI is InChI=1S/C24H22ClN/c1-14-12-20(25)15(2)21-22-18-11-7-6-10-17(18)13-19(22)24(26-23(14)21)16-8-4-3-5-9-16/h3-12,19,22,24,26H,13H2,1-2H3/t19-,22+,24-/m0/s1.
What are the key properties of (6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
(6R,6aS,11bS)-2-chloro-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline has a molecular weight of 359.90 g/mol, XLogP of 6.43, 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-1,4-dimethyl-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline is sourced from PubChem (CID 134983208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).