3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one

C23H26N2O — CID 158344353

IUPAC3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
SMILESCc1cc2[nH]c(-c3ccc(N4CCCCC4)cc3)c(C)c(=O)c2cc1C
InChIInChI=1S/C23H26N2O/c1-15-13-20-21(14-16(15)2)24-22(17(3)23(20)26)18-7-9-19(10-8-18)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyGRNWLLCZYWJWST-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.11
Rot. Bonds2

About 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one

3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one (PubChem CID 158344353) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
PubChem CID158344353
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
SMILESCc1cc2[nH]c(-c3ccc(N4CCCCC4)cc3)c(C)c(=O)c2cc1C
InChIInChI=1S/C23H26N2O/c1-15-13-20-21(14-16(15)2)24-22(17(3)23(20)26)18-7-9-19(10-8-18)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyGRNWLLCZYWJWST-UHFFFAOYSA-N
XLogP5.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
CID 56670186
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781766
5,7-difluoro-3-methyl-2-[4-(3-methylpiperidin-1-yl)phenyl]-1H-quinolin-4-one
CID 129259188
7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one
CID 168514873
4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one;ethane
CID 90706844
5-ethyl-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
CID 71281835
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
5-chloro-6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 130264624
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
3-chloro-4-(4-methylphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584172
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
4-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 87019513

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
The IUPAC name of 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one (CID 158344353) is 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one is Cc1cc2[nH]c(-c3ccc(N4CCCCC4)cc3)c(C)c(=O)c2cc1C.
What is the InChIKey of 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
The InChIKey is GRNWLLCZYWJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-15-13-20-21(14-16(15)2)24-22(17(3)23(20)26)18-7-9-19(10-8-18)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,26).
What are the key properties of 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one?
3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one has a molecular weight of 346.47 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 158344353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).