methyl 4-(4-methylanilino)quinoline-2-carboxylate

C18H16N2O2 — CID 45499061

IUPACmethyl 4-(4-methylanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)19-16-11-17(18(21)22-2)20-15-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,20)
InChIKeyKROOKNBGYICPPC-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.07
Rot. Bonds3

About methyl 4-(4-methylanilino)quinoline-2-carboxylate

methyl 4-(4-methylanilino)quinoline-2-carboxylate (PubChem CID 45499061) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-(4-methylanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylanilino)quinoline-2-carboxylate
PubChem CID45499061
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl 4-(4-methylanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)19-16-11-17(18(21)22-2)20-15-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,20)
InChIKeyKROOKNBGYICPPC-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 4-(4-methylanilino)quinoline-2-carboxylate (CID 45499061) is methyl 4-(4-methylanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methylanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(4-methylanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2ccc(C)cc2)c2ccccc2n1.
What is the InChIKey of methyl 4-(4-methylanilino)quinoline-2-carboxylate?
The InChIKey is KROOKNBGYICPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)19-16-11-17(18(21)22-2)20-15-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 4-(4-methylanilino)quinoline-2-carboxylate?
methyl 4-(4-methylanilino)quinoline-2-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylanilino)quinoline-2-carboxylate is sourced from PubChem (CID 45499061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).