1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one

C18H18N2O3 — CID 84590061

IUPAC1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(OCC(=O)c2ccc3c(c2)CCC(=O)N3C)nc1
InChIInChI=1S/C18H18N2O3/c1-12-3-7-17(19-10-12)23-11-16(21)14-4-6-15-13(9-14)5-8-18(22)20(15)2/h3-4,6-7,9-10H,5,8,11H2,1-2H3
InChIKeyDSZKNXYMVSYPRI-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.56
Rot. Bonds4

About 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one (PubChem CID 84590061) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one
PubChem CID84590061
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc(OCC(=O)c2ccc3c(c2)CCC(=O)N3C)nc1
InChIInChI=1S/C18H18N2O3/c1-12-3-7-17(19-10-12)23-11-16(21)14-4-6-15-13(9-14)5-8-18(22)20(15)2/h3-4,6-7,9-10H,5,8,11H2,1-2H3
InChIKeyDSZKNXYMVSYPRI-UHFFFAOYSA-N
XLogP2.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one (CID 84590061) is 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one is Cc1ccc(OCC(=O)c2ccc3c(c2)CCC(=O)N3C)nc1.
What is the InChIKey of 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one?
The InChIKey is DSZKNXYMVSYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-3-7-17(19-10-12)23-11-16(21)14-4-6-15-13(9-14)5-8-18(22)20(15)2/h3-4,6-7,9-10H,5,8,11H2,1-2H3.
What are the key properties of 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 84590061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).