2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one

C19H25N3O2 — CID 72893517

IUPAC2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
SMILESCC(=O)N1CCC(NCc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-12-4-5-13(2)19-18(12)17(24)10-16(21-19)11-20-15-6-8-22(9-7-15)14(3)23/h4-5,10,15,20H,6-9,11H2,1-3H3,(H,21,24)
InChIKeyGDLDQONVTKMXFR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.25
Rot. Bonds3

About 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one

2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one (PubChem CID 72893517) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
PubChem CID72893517
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
SMILESCC(=O)N1CCC(NCc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-12-4-5-13(2)19-18(12)17(24)10-16(21-19)11-20-15-6-8-22(9-7-15)14(3)23/h4-5,10,15,20H,6-9,11H2,1-3H3,(H,21,24)
InChIKeyGDLDQONVTKMXFR-UHFFFAOYSA-N
XLogP2.25
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one (CID 72893517) is 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one is CC(=O)N1CCC(NCc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC1.
What is the InChIKey of 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
The InChIKey is GDLDQONVTKMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-4-5-13(2)19-18(12)17(24)10-16(21-19)11-20-15-6-8-22(9-7-15)14(3)23/h4-5,10,15,20H,6-9,11H2,1-3H3,(H,21,24).
What are the key properties of 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 72893517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).