5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one

C24H26N2O2 — CID 86654129

IUPAC5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21
InChIInChI=1S/C24H26N2O2/c1-24(2)19-14-16(9-11-20(19)25-23(24)28)22(27)26-13-5-8-18-17-7-4-3-6-15(17)10-12-21(18)26/h3-4,6-7,9,11,14,18,21H,5,8,10,12-13H2,1-2H3,(H,25,28)/t18-,21+/m1/s1
InChIKeyLEOUBWWDMKISSF-NQIIRXRSSA-N
MW374.48 g/mol
LogP4.25
Rot. Bonds1

About 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one

5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 86654129) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID86654129
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21
InChIInChI=1S/C24H26N2O2/c1-24(2)19-14-16(9-11-20(19)25-23(24)28)22(27)26-13-5-8-18-17-7-4-3-6-15(17)10-12-21(18)26/h3-4,6-7,9,11,14,18,21H,5,8,10,12-13H2,1-2H3,(H,25,28)/t18-,21+/m1/s1
InChIKeyLEOUBWWDMKISSF-NQIIRXRSSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one (CID 86654129) is 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21.
What is the InChIKey of 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is LEOUBWWDMKISSF-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-24(2)19-14-16(9-11-20(19)25-23(24)28)22(27)26-13-5-8-18-17-7-4-3-6-15(17)10-12-21(18)26/h3-4,6-7,9,11,14,18,21H,5,8,10,12-13H2,1-2H3,(H,25,28)/t18-,21+/m1/s1.
What are the key properties of 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one?
5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 86654129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).