1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one

C20H20N2O2 — CID 10245451

IUPAC1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-4-17(23)15-12-21-20-14(9-7-11-18(20)24-3)19(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyJKHXEXFYOPLSKA-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.89
Rot. Bonds5

About 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one

1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one (PubChem CID 10245451) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one
PubChem CID10245451
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-4-17(23)15-12-21-20-14(9-7-11-18(20)24-3)19(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyJKHXEXFYOPLSKA-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
The IUPAC name of 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one (CID 10245451) is 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one.
What is the SMILES notation for 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
The canonical SMILES for 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one is CCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C.
What is the InChIKey of 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
The InChIKey is JKHXEXFYOPLSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-17(23)15-12-21-20-14(9-7-11-18(20)24-3)19(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one is sourced from PubChem (CID 10245451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).