6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one

C23H34N3O+ — CID 3391700

IUPAC6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C23H33N3O/c1-15-19(12-26-14-23(4)11-17(26)10-22(2,3)13-23)21(27)18-9-16(25(5)6)7-8-20(18)24-15/h7-9,17H,10-14H2,1-6H3,(H,24,27)/p+1
InChIKeyVCBJIRDVEMZHCI-UHFFFAOYSA-O
MW368.55 g/mol
LogP2.89
Rot. Bonds3

About 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one

6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one (PubChem CID 3391700) has the molecular formula C23H34N3O+ and a molecular weight of 368.55 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one
PubChem CID3391700
Molecular FormulaC23H34N3O+
Molecular Weight368.55 g/mol
Exact Mass368.27
IUPAC Name6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C23H33N3O/c1-15-19(12-26-14-23(4)11-17(26)10-22(2,3)13-23)21(27)18-9-16(25(5)6)7-8-20(18)24-15/h7-9,17H,10-14H2,1-6H3,(H,24,27)/p+1
InChIKeyVCBJIRDVEMZHCI-UHFFFAOYSA-O
XLogP2.89
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one (CID 3391700) is 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one is Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one?
The InChIKey is VCBJIRDVEMZHCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H33N3O/c1-15-19(12-26-14-23(4)11-17(26)10-22(2,3)13-23)21(27)18-9-16(25(5)6)7-8-20(18)24-15/h7-9,17H,10-14H2,1-6H3,(H,24,27)/p+1.
What are the key properties of 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one?
6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one has a molecular weight of 368.55 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 3391700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).