1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one

C17H17N3O — CID 81244773

IUPAC1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one
SMILESCc1cccnc1CNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-12-6-5-9-18-15(12)11-19-14-10-17(21)20(2)16-8-4-3-7-13(14)16/h3-10,19H,11H2,1-2H3
InChIKeyTZONJYNIGGQWFQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one

1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one (PubChem CID 81244773) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one
PubChem CID81244773
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one
SMILESCc1cccnc1CNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-12-6-5-9-18-15(12)11-19-14-10-17(21)20(2)16-8-4-3-7-13(14)16/h3-10,19H,11H2,1-2H3
InChIKeyTZONJYNIGGQWFQ-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one
CID 81244466
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 107235688
4-(butylamino)-1-methylquinolin-2-one
CID 81244865
1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
CID 81244482
4-(3-aminobutylamino)-1-methylquinolin-2-one
CID 81237638
1-methyl-4-(pent-3-ynylamino)quinolin-2-one
CID 116644399
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
4-(5-hydroxypentylamino)-1-methylquinolin-2-one
CID 107318105
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
CID 81244474
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one
CID 135385810

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one (CID 81244773) is 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one is Cc1cccnc1CNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one?
The InChIKey is TZONJYNIGGQWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-5-9-18-15(12)11-19-14-10-17(21)20(2)16-8-4-3-7-13(14)16/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one?
1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one is sourced from PubChem (CID 81244773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).