1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one

C22H24N2O2 — CID 57023800

IUPAC1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OC)cc1C
InChIInChI=1S/C22H24N2O2/c1-5-6-21(25)18-13-23-20-9-7-14(2)11-17(20)22(18)24-19-10-8-16(26-4)12-15(19)3/h7-13H,5-6H2,1-4H3,(H,23,24)
InChIKeyODZDDGMSXIWHSD-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.59
Rot. Bonds6

About 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one

1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one (PubChem CID 57023800) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one
PubChem CID57023800
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OC)cc1C
InChIInChI=1S/C22H24N2O2/c1-5-6-21(25)18-13-23-20-9-7-14(2)11-17(20)22(18)24-19-10-8-16(26-4)12-15(19)3/h7-13H,5-6H2,1-4H3,(H,23,24)
InChIKeyODZDDGMSXIWHSD-UHFFFAOYSA-N
XLogP5.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one?
The IUPAC name of 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one (CID 57023800) is 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OC)cc1C.
What is the InChIKey of 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one?
The InChIKey is ODZDDGMSXIWHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-5-6-21(25)18-13-23-20-9-7-14(2)11-17(20)22(18)24-19-10-8-16(26-4)12-15(19)3/h7-13H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one?
1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one has a molecular weight of 348.45 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one is sourced from PubChem (CID 57023800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).