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

C20H18N4O2 — CID 139462720

IUPAC1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(COc4ncccn4)c3)c21
InChIInChI=1S/C20H18N4O2/c1-24-18(25)7-6-15-4-2-5-17(19(15)24)16-10-14(11-21-12-16)13-26-20-22-8-3-9-23-20/h2-5,8-12H,6-7,13H2,1H3
InChIKeyKUJKVCZQDSVMRR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.03
Rot. Bonds4

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

1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 139462720) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID139462720
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(COc4ncccn4)c3)c21
InChIInChI=1S/C20H18N4O2/c1-24-18(25)7-6-15-4-2-5-17(19(15)24)16-10-14(11-21-12-16)13-26-20-22-8-3-9-23-20/h2-5,8-12H,6-7,13H2,1H3
InChIKeyKUJKVCZQDSVMRR-UHFFFAOYSA-N
XLogP3.03
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462704
8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 155023513
8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 155023516
7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462714
1-methyl-6-[5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78324617
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285
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-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440799
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462702
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 139462720) is 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cccc(-c3cncc(COc4ncccn4)c3)c21.
What is the InChIKey of 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is KUJKVCZQDSVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-18(25)7-6-15-4-2-5-17(19(15)24)16-10-14(11-21-12-16)13-26-20-22-8-3-9-23-20/h2-5,8-12H,6-7,13H2,1H3.
What are the key properties of 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139462720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).