6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H17N3O — CID 118739297

IUPAC6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(NCc1ccncc1)C2
InChIInChI=1S/C15H17N3O/c19-15-4-1-12-9-13(2-3-14(12)18-15)17-10-11-5-7-16-8-6-11/h1,4-8,13,17H,2-3,9-10H2,(H,18,19)
InChIKeyXLTPVQMKMONLNF-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.42
Rot. Bonds3

About 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 118739297) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID118739297
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(NCc1ccncc1)C2
InChIInChI=1S/C15H17N3O/c19-15-4-1-12-9-13(2-3-14(12)18-15)17-10-11-5-7-16-8-6-11/h1,4-8,13,17H,2-3,9-10H2,(H,18,19)
InChIKeyXLTPVQMKMONLNF-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 118739297) is 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC(NCc1ccncc1)C2.
What is the InChIKey of 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is XLTPVQMKMONLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15-4-1-12-9-13(2-3-14(12)18-15)17-10-11-5-7-16-8-6-11/h1,4-8,13,17H,2-3,9-10H2,(H,18,19).
What are the key properties of 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 118739297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).