3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one

C19H27N3O — CID 14627498

IUPAC3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one
SMILESCCN(CC)C1CCN(c2cc3cccc(C)c3[nH]c2=O)CC1
InChIInChI=1S/C19H27N3O/c1-4-21(5-2)16-9-11-22(12-10-16)17-13-15-8-6-7-14(3)18(15)20-19(17)23/h6-8,13,16H,4-5,9-12H2,1-3H3,(H,20,23)
InChIKeyQSMLKUMGFULRPG-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.15
Rot. Bonds4

About 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one

3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one (PubChem CID 14627498) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one
PubChem CID14627498
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one
SMILESCCN(CC)C1CCN(c2cc3cccc(C)c3[nH]c2=O)CC1
InChIInChI=1S/C19H27N3O/c1-4-21(5-2)16-9-11-22(12-10-16)17-13-15-8-6-7-14(3)18(15)20-19(17)23/h6-8,13,16H,4-5,9-12H2,1-3H3,(H,20,23)
InChIKeyQSMLKUMGFULRPG-UHFFFAOYSA-N
XLogP3.15
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one (CID 14627498) is 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one is CCN(CC)C1CCN(c2cc3cccc(C)c3[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one?
The InChIKey is QSMLKUMGFULRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-21(5-2)16-9-11-22(12-10-16)17-13-15-8-6-7-14(3)18(15)20-19(17)23/h6-8,13,16H,4-5,9-12H2,1-3H3,(H,20,23).
What are the key properties of 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one?
3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one has a molecular weight of 313.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 14627498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).