2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one

C23H26N2O2 — CID 4122303

IUPAC2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN1CCCC(C)C1
InChIInChI=1S/C23H26N2O2/c1-16-7-6-12-25(14-16)15-21-17(2)24-22-11-10-19(13-20(22)23(21)26)27-18-8-4-3-5-9-18/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,26)
InChIKeyGRLPCGKDEINVJF-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.86
Rot. Bonds4

About 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one

2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one (PubChem CID 4122303) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one
PubChem CID4122303
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN1CCCC(C)C1
InChIInChI=1S/C23H26N2O2/c1-16-7-6-12-25(14-16)15-21-17(2)24-22-11-10-19(13-20(22)23(21)26)27-18-8-4-3-5-9-18/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,26)
InChIKeyGRLPCGKDEINVJF-UHFFFAOYSA-N
XLogP4.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one (CID 4122303) is 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one is Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN1CCCC(C)C1.
What is the InChIKey of 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one?
The InChIKey is GRLPCGKDEINVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-7-6-12-25(14-16)15-21-17(2)24-22-11-10-19(13-20(22)23(21)26)27-18-8-4-3-5-9-18/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one?
2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one has a molecular weight of 362.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one is sourced from PubChem (CID 4122303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).