1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C20H24N2O2 — CID 25254317

IUPAC1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOCc1ccc(NC2CC(C)N(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-14-12-19(21-17-10-8-16(9-11-17)13-24-3)18-6-4-5-7-20(18)22(14)15(2)23/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyUOSWYRFEPDMBHD-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.13
Rot. Bonds4

About 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 25254317) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID25254317
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOCc1ccc(NC2CC(C)N(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-14-12-19(21-17-10-8-16(9-11-17)13-24-3)18-6-4-5-7-20(18)22(14)15(2)23/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyUOSWYRFEPDMBHD-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 25254317) is 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is COCc1ccc(NC2CC(C)N(C(C)=O)c3ccccc32)cc1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is UOSWYRFEPDMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-12-19(21-17-10-8-16(9-11-17)13-24-3)18-6-4-5-7-20(18)22(14)15(2)23/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 25254317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).