8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C16H17N3O — CID 146216604

IUPAC8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(CN)c3)c21
InChIInChI=1S/C16H17N3O/c1-19-15(20)6-5-12-3-2-4-14(16(12)19)13-7-11(8-17)9-18-10-13/h2-4,7,9-10H,5-6,8,17H2,1H3
InChIKeyFSIJSTZBSPVDJX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.12
Rot. Bonds2

About 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 146216604) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID146216604
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(CN)c3)c21
InChIInChI=1S/C16H17N3O/c1-19-15(20)6-5-12-3-2-4-14(16(12)19)13-7-11(8-17)9-18-10-13/h2-4,7,9-10H,5-6,8,17H2,1H3
InChIKeyFSIJSTZBSPVDJX-UHFFFAOYSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 155023513
8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462704
6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440799
8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 155023516
6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440497
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216653
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
1-methyl-6-[5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78324617
[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
CID 171365623

Frequently Asked Questions

What is the IUPAC name of 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 146216604) is 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cccc(-c3cncc(CN)c3)c21.
What is the InChIKey of 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is FSIJSTZBSPVDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-15(20)6-5-12-3-2-4-14(16(12)19)13-7-11(8-17)9-18-10-13/h2-4,7,9-10H,5-6,8,17H2,1H3.
What are the key properties of 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146216604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).