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

C19H21N3O2 — CID 146229350

IUPAC1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCNC1(c2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)COC1
InChIInChI=1S/C19H21N3O2/c1-20-19(11-24-12-19)16-8-15(9-21-10-16)13-3-5-17-14(7-13)4-6-18(23)22(17)2/h3,5,7-10,20H,4,6,11-12H2,1-2H3
InChIKeyIJJXOKNDGMOBJY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.10
Rot. Bonds3

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

1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 146229350) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID146229350
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCNC1(c2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)COC1
InChIInChI=1S/C19H21N3O2/c1-20-19(11-24-12-19)16-8-15(9-21-10-16)13-3-5-17-14(7-13)4-6-18(23)22(17)2/h3,5,7-10,20H,4,6,11-12H2,1-2H3
InChIKeyIJJXOKNDGMOBJY-UHFFFAOYSA-N
XLogP2.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439862
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679151
6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439797
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 151905560
3-chloropyridine-2-carboxylic acid;6-[5-[1-(decylamino)cyclopropyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 157366657
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 146229350) is 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is CNC1(c2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)COC1.
What is the InChIKey of 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is IJJXOKNDGMOBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20-19(11-24-12-19)16-8-15(9-21-10-16)13-3-5-17-14(7-13)4-6-18(23)22(17)2/h3,5,7-10,20H,4,6,11-12H2,1-2H3.
What are the key properties of 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146229350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).