[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H19N3O — CID 62239405

IUPAC[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCNc1cccc(C(=O)N2c3ccccc3CCC2C)n1
InChIInChI=1S/C17H19N3O/c1-12-10-11-13-6-3-4-8-15(13)20(12)17(21)14-7-5-9-16(18-2)19-14/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyKWFLPULLAXIVBA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds2

About [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 62239405) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID62239405
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCNc1cccc(C(=O)N2c3ccccc3CCC2C)n1
InChIInChI=1S/C17H19N3O/c1-12-10-11-13-6-3-4-8-15(13)20(12)17(21)14-7-5-9-16(18-2)19-14/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyKWFLPULLAXIVBA-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 62239405) is [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CNc1cccc(C(=O)N2c3ccccc3CCC2C)n1.
What is the InChIKey of [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KWFLPULLAXIVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-10-11-13-6-3-4-8-15(13)20(12)17(21)14-7-5-9-16(18-2)19-14/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 62239405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).