1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one

C20H20N2O — CID 10380322

IUPAC1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccccc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O/c1-3-8-19(23)16-13-21-18-12-7-5-10-15(18)20(16)22-17-11-6-4-9-14(17)2/h4-7,9-13H,3,8H2,1-2H3,(H,21,22)
InChIKeyDKHVLYKTQIYSAD-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.27
Rot. Bonds5

About 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one

1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one (PubChem CID 10380322) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one
PubChem CID10380322
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccccc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O/c1-3-8-19(23)16-13-21-18-12-7-5-10-15(18)20(16)22-17-11-6-4-9-14(17)2/h4-7,9-13H,3,8H2,1-2H3,(H,21,22)
InChIKeyDKHVLYKTQIYSAD-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one (CID 10380322) is 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2ccccc2c1Nc1ccccc1C.
What is the InChIKey of 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The InChIKey is DKHVLYKTQIYSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-8-19(23)16-13-21-18-12-7-5-10-15(18)20(16)22-17-11-6-4-9-14(17)2/h4-7,9-13H,3,8H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one?
1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one has a molecular weight of 304.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylanilino)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 10380322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).