5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H19N3O — CID 81108446

IUPAC5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cccnc1CNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H19N3O/c1-11-4-3-9-17-15(11)10-18-13-5-2-6-14-12(13)7-8-16(20)19-14/h3-4,7-9,13,18H,2,5-6,10H2,1H3,(H,19,20)
InChIKeyPLAYTNPPBCTKMS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.25
Rot. Bonds3

About 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108446) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108446
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cccnc1CNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C16H19N3O/c1-11-4-3-9-17-15(11)10-18-13-5-2-6-14-12(13)7-8-16(20)19-14/h3-4,7-9,13,18H,2,5-6,10H2,1H3,(H,19,20)
InChIKeyPLAYTNPPBCTKMS-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108446) is 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1cccnc1CNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PLAYTNPPBCTKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-3-9-17-15(11)10-18-13-5-2-6-14-12(13)7-8-16(20)19-14/h3-4,7-9,13,18H,2,5-6,10H2,1H3,(H,19,20).
What are the key properties of 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).