1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one

C16H17N3O — CID 79251878

IUPAC1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
SMILESCNc1ccnc(CN2C(=O)CCc3ccccc32)c1
InChIInChI=1S/C16H17N3O/c1-17-13-8-9-18-14(10-13)11-19-15-5-3-2-4-12(15)6-7-16(19)20/h2-5,8-10H,6-7,11H2,1H3,(H,17,18)
InChIKeyGSZLXLWLTALLPQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.60
Rot. Bonds3

About 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one

1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 79251878) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID79251878
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
SMILESCNc1ccnc(CN2C(=O)CCc3ccccc32)c1
InChIInChI=1S/C16H17N3O/c1-17-13-8-9-18-14(10-13)11-19-15-5-3-2-4-12(15)6-7-16(19)20/h2-5,8-10H,6-7,11H2,1H3,(H,17,18)
InChIKeyGSZLXLWLTALLPQ-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one (CID 79251878) is 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one is CNc1ccnc(CN2C(=O)CCc3ccccc32)c1.
What is the InChIKey of 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GSZLXLWLTALLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-13-8-9-18-14(10-13)11-19-15-5-3-2-4-12(15)6-7-16(19)20/h2-5,8-10H,6-7,11H2,1H3,(H,17,18).
What are the key properties of 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one?
1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79251878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).