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

C21H20N4O2 — CID 78319928

IUPAC1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1nccc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)n1
InChIInChI=1S/C21H20N4O2/c1-14-23-8-7-20(24-14)27-13-15-9-18(12-22-11-15)16-3-5-19-17(10-16)4-6-21(26)25(19)2/h3,5,7-12H,4,6,13H2,1-2H3
InChIKeyDXJJPGCPABJAIT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.34
Rot. Bonds4

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

1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 78319928) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID78319928
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1nccc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)n1
InChIInChI=1S/C21H20N4O2/c1-14-23-8-7-20(24-14)27-13-15-9-18(12-22-11-15)16-3-5-19-17(10-16)4-6-21(26)25(19)2/h3,5,7-12H,4,6,13H2,1-2H3
InChIKeyDXJJPGCPABJAIT-UHFFFAOYSA-N
XLogP3.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 78319928) is 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1nccc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)n1.
What is the InChIKey of 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is DXJJPGCPABJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-23-8-7-20(24-14)27-13-15-9-18(12-22-11-15)16-3-5-19-17(10-16)4-6-21(26)25(19)2/h3,5,7-12H,4,6,13H2,1-2H3.
What are the key properties of 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78319928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).