2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one

C23H32N2O — CID 7067240

IUPAC2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)[nH]c2c1C
InChIInChI=1S/C23H32N2O/c1-14-7-8-18-20(15(14)2)24-16(3)19(21(18)26)11-25-13-23(6)10-17(25)9-22(4,5)12-23/h7-8,17H,9-13H2,1-6H3,(H,24,26)/t17-,23+/m1/s1
InChIKeyKRIZZJVXOLRIIH-HXOBKFHXSA-N
MW352.52 g/mol
LogP4.85
Rot. Bonds2

About 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one

2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one (PubChem CID 7067240) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
PubChem CID7067240
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)[nH]c2c1C
InChIInChI=1S/C23H32N2O/c1-14-7-8-18-20(15(14)2)24-16(3)19(21(18)26)11-25-13-23(6)10-17(25)9-22(4,5)12-23/h7-8,17H,9-13H2,1-6H3,(H,24,26)/t17-,23+/m1/s1
InChIKeyKRIZZJVXOLRIIH-HXOBKFHXSA-N
XLogP4.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one (CID 7067240) is 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one is Cc1ccc2c(=O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)[nH]c2c1C.
What is the InChIKey of 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one?
The InChIKey is KRIZZJVXOLRIIH-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H32N2O/c1-14-7-8-18-20(15(14)2)24-16(3)19(21(18)26)11-25-13-23(6)10-17(25)9-22(4,5)12-23/h7-8,17H,9-13H2,1-6H3,(H,24,26)/t17-,23+/m1/s1.
What are the key properties of 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one?
2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one has a molecular weight of 352.52 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 7067240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).