(10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one

C43H48N2O2 — CID 54560375

IUPAC(10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
SMILESCc1ccccc1-c1ccc2c(c1)CCC1N(C)C(=O)CC[C@]21C.Cc1ccccc1-c1ccc2c(c1)CCC1NC(=O)CC[C@]21C
InChIInChI=1S/C22H25NO.C21H23NO/c1-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20-22(19,2)13-12-21(24)23(20)3;1-14-5-3-4-6-17(14)15-7-9-18-16(13-15)8-10-19-21(18,2)12-11-20(23)22-19/h4-8,10,14,20H,9,11-13H2,1-3H3;3-7,9,13,19H,8,10-12H2,1-2H3,(H,22,23)/t20?,22-;19?,21-/m11/s1
InChIKeyZQCYKZPFGFHJTO-TZDQQMRXSA-N
MW624.87 g/mol
LogP8.63
Rot. Bonds2

About (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one

(10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one (PubChem CID 54560375) has the molecular formula C43H48N2O2 and a molecular weight of 624.87 g/mol. Its IUPAC name is (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
PubChem CID54560375
Molecular FormulaC43H48N2O2
Molecular Weight624.87 g/mol
Exact Mass624.37
IUPAC Name(10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one
SMILESCc1ccccc1-c1ccc2c(c1)CCC1N(C)C(=O)CC[C@]21C.Cc1ccccc1-c1ccc2c(c1)CCC1NC(=O)CC[C@]21C
InChIInChI=1S/C22H25NO.C21H23NO/c1-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20-22(19,2)13-12-21(24)23(20)3;1-14-5-3-4-6-17(14)15-7-9-18-16(13-15)8-10-19-21(18,2)12-11-20(23)22-19/h4-8,10,14,20H,9,11-13H2,1-3H3;3-7,9,13,19H,8,10-12H2,1-2H3,(H,22,23)/t20?,22-;19?,21-/m11/s1
InChIKeyZQCYKZPFGFHJTO-TZDQQMRXSA-N
XLogP8.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.87
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one (CID 54560375) is (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one is Cc1ccccc1-c1ccc2c(c1)CCC1N(C)C(=O)CC[C@]21C.Cc1ccccc1-c1ccc2c(c1)CCC1NC(=O)CC[C@]21C.
What is the InChIKey of (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is ZQCYKZPFGFHJTO-TZDQQMRXSA-N. The full InChI is InChI=1S/C22H25NO.C21H23NO/c1-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20-22(19,2)13-12-21(24)23(20)3;1-14-5-3-4-6-17(14)15-7-9-18-16(13-15)8-10-19-21(18,2)12-11-20(23)22-19/h4-8,10,14,20H,9,11-13H2,1-3H3;3-7,9,13,19H,8,10-12H2,1-2H3,(H,22,23)/t20?,22-;19?,21-/m11/s1.
What are the key properties of (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one?
(10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 624.87 g/mol, XLogP of 8.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-4,10b-dimethyl-8-(2-methylphenyl)-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one;(10bR)-10b-methyl-8-(2-methylphenyl)-1,2,4,4a,5,6-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 54560375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).