(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline

C23H21N — CID 164681332

IUPAC(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline
SMILESCN1c2ccccc2[C@H](c2ccccc2)[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C23H21N/c1-24-21-14-8-7-13-19(21)22(16-9-3-2-4-10-16)20-15-17-11-5-6-12-18(17)23(20)24/h2-14,20,22-23H,15H2,1H3/t20-,22-,23-/m0/s1
InChIKeyVLNMCEDTFTXGOO-PMVMPFDFSA-N
MW311.43 g/mol
LogP5.18
Rot. Bonds1

About (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline

(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline (PubChem CID 164681332) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline.

Molecular Properties

Compound Name(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline
PubChem CID164681332
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline
SMILESCN1c2ccccc2[C@H](c2ccccc2)[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C23H21N/c1-24-21-14-8-7-13-19(21)22(16-9-3-2-4-10-16)20-15-17-11-5-6-12-18(17)23(20)24/h2-14,20,22-23H,15H2,1H3/t20-,22-,23-/m0/s1
InChIKeyVLNMCEDTFTXGOO-PMVMPFDFSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline?
The IUPAC name of (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline (CID 164681332) is (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline.
What is the SMILES notation for (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline?
The canonical SMILES for (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline is CN1c2ccccc2[C@H](c2ccccc2)[C@@H]2Cc3ccccc3[C@@H]21.
What is the InChIKey of (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline?
The InChIKey is VLNMCEDTFTXGOO-PMVMPFDFSA-N. The full InChI is InChI=1S/C23H21N/c1-24-21-14-8-7-13-19(21)22(16-9-3-2-4-10-16)20-15-17-11-5-6-12-18(17)23(20)24/h2-14,20,22-23H,15H2,1H3/t20-,22-,23-/m0/s1.
What are the key properties of (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline?
(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline has a molecular weight of 311.43 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline is sourced from PubChem (CID 164681332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).