1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one

C19H18N2O2 — CID 159457139

IUPAC1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one
SMILESCOc1ccc2c(CC(=O)Cc3cccc(C)n3)ccnc2c1
InChIInChI=1S/C19H18N2O2/c1-13-4-3-5-15(21-13)11-16(22)10-14-8-9-20-19-12-17(23-2)6-7-18(14)19/h3-9,12H,10-11H2,1-2H3
InChIKeyLUCUYSFGLPHGRN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.30
Rot. Bonds5

About 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one

1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one (PubChem CID 159457139) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one
PubChem CID159457139
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one
SMILESCOc1ccc2c(CC(=O)Cc3cccc(C)n3)ccnc2c1
InChIInChI=1S/C19H18N2O2/c1-13-4-3-5-15(21-13)11-16(22)10-14-8-9-20-19-12-17(23-2)6-7-18(14)19/h3-9,12H,10-11H2,1-2H3
InChIKeyLUCUYSFGLPHGRN-UHFFFAOYSA-N
XLogP3.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one (CID 159457139) is 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one is COc1ccc2c(CC(=O)Cc3cccc(C)n3)ccnc2c1.
What is the InChIKey of 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The InChIKey is LUCUYSFGLPHGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-4-3-5-15(21-13)11-16(22)10-14-8-9-20-19-12-17(23-2)6-7-18(14)19/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one?
1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 159457139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).