1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C18H21N3O — CID 146216610

IUPAC1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCNC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C18H21N3O/c1-12(19-2)15-9-16(11-20-10-15)13-4-6-17-14(8-13)5-7-18(22)21(17)3/h4,6,8-12,19H,5,7H2,1-3H3
InChIKeyGIDGSZCHJTXATQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.94
Rot. Bonds3

About 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 146216610) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID146216610
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCNC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C18H21N3O/c1-12(19-2)15-9-16(11-20-10-15)13-4-6-17-14(8-13)5-7-18(22)21(17)3/h4,6,8-12,19H,5,7H2,1-3H3
InChIKeyGIDGSZCHJTXATQ-UHFFFAOYSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 146216610) is 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is CNC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GIDGSZCHJTXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(19-2)15-9-16(11-20-10-15)13-4-6-17-14(8-13)5-7-18(22)21(17)3/h4,6,8-12,19H,5,7H2,1-3H3.
What are the key properties of 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146216610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).