[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone

C23H17ClFNO — CID 164676981

IUPAC[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@@H]1Nc2ccc(Cl)cc2[C@@H]2c3ccccc3C[C@@H]21
InChIInChI=1S/C23H17ClFNO/c24-15-7-10-20-18(12-15)21-17-4-2-1-3-14(17)11-19(21)22(26-20)23(27)13-5-8-16(25)9-6-13/h1-10,12,19,21-22,26H,11H2/t19-,21-,22+/m0/s1
InChIKeyBXJXWNAJXAOQBH-ILWGZMRPSA-N
MW377.85 g/mol
LogP5.46
Rot. Bonds2

About [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone

[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone (PubChem CID 164676981) has the molecular formula C23H17ClFNO and a molecular weight of 377.85 g/mol. Its IUPAC name is [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone
PubChem CID164676981
Molecular FormulaC23H17ClFNO
Molecular Weight377.85 g/mol
Exact Mass377.10
IUPAC Name[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@@H]1Nc2ccc(Cl)cc2[C@@H]2c3ccccc3C[C@@H]21
InChIInChI=1S/C23H17ClFNO/c24-15-7-10-20-18(12-15)21-17-4-2-1-3-14(17)11-19(21)22(26-20)23(27)13-5-8-16(25)9-6-13/h1-10,12,19,21-22,26H,11H2/t19-,21-,22+/m0/s1
InChIKeyBXJXWNAJXAOQBH-ILWGZMRPSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone (CID 164676981) is [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)[C@@H]1Nc2ccc(Cl)cc2[C@@H]2c3ccccc3C[C@@H]21.
What is the InChIKey of [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone?
The InChIKey is BXJXWNAJXAOQBH-ILWGZMRPSA-N. The full InChI is InChI=1S/C23H17ClFNO/c24-15-7-10-20-18(12-15)21-17-4-2-1-3-14(17)11-19(21)22(26-20)23(27)13-5-8-16(25)9-6-13/h1-10,12,19,21-22,26H,11H2/t19-,21-,22+/m0/s1.
What are the key properties of [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone?
[(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone has a molecular weight of 377.85 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,6aS,11bS)-2-chloro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 164676981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).