8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C21H18ClN3O2 — CID 139462704

IUPAC8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(COc4cccc(Cl)n4)c3)c21
InChIInChI=1S/C21H18ClN3O2/c1-25-20(26)9-8-15-4-2-5-17(21(15)25)16-10-14(11-23-12-16)13-27-19-7-3-6-18(22)24-19/h2-7,10-12H,8-9,13H2,1H3
InChIKeyPPBXPCUKUOAERI-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.28
Rot. Bonds4

About 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 139462704) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID139462704
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(COc4cccc(Cl)n4)c3)c21
InChIInChI=1S/C21H18ClN3O2/c1-25-20(26)9-8-15-4-2-5-17(21(15)25)16-10-14(11-23-12-16)13-27-19-7-3-6-18(22)24-19/h2-7,10-12H,8-9,13H2,1H3
InChIKeyPPBXPCUKUOAERI-UHFFFAOYSA-N
XLogP4.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
1-methyl-6-[5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78324617
1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 155023513
7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462714
N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 78320873
7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462701
6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440799
1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216653
7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320870
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-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 139462704) is 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cccc(-c3cncc(COc4cccc(Cl)n4)c3)c21.
What is the InChIKey of 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is PPBXPCUKUOAERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-25-20(26)9-8-15-4-2-5-17(21(15)25)16-10-14(11-23-12-16)13-27-19-7-3-6-18(22)24-19/h2-7,10-12H,8-9,13H2,1H3.
What are the key properties of 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 379.85 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139462704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).