1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one

C16H19N3O — CID 166278029

IUPAC1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one
SMILESCn1cc(CNc2cnc3c(c2)CCCC3)ccc1=O
InChIInChI=1S/C16H19N3O/c1-19-11-12(6-7-16(19)20)9-17-14-8-13-4-2-3-5-15(13)18-10-14/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyQXLPZHKVFIRXLY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.27
Rot. Bonds3

About 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one

1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one (PubChem CID 166278029) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one
PubChem CID166278029
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one
SMILESCn1cc(CNc2cnc3c(c2)CCCC3)ccc1=O
InChIInChI=1S/C16H19N3O/c1-19-11-12(6-7-16(19)20)9-17-14-8-13-4-2-3-5-15(13)18-10-14/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyQXLPZHKVFIRXLY-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one (CID 166278029) is 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one is Cn1cc(CNc2cnc3c(c2)CCCC3)ccc1=O.
What is the InChIKey of 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one?
The InChIKey is QXLPZHKVFIRXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-11-12(6-7-16(19)20)9-17-14-8-13-4-2-3-5-15(13)18-10-14/h6-8,10-11,17H,2-5,9H2,1H3.
What are the key properties of 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one?
1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]pyridin-2-one is sourced from PubChem (CID 166278029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).