methyl 2-anilinoquinoline-3-carboxylate

C17H14N2O2 — CID 15723644

IUPACmethyl 2-anilinoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)14-11-12-7-5-6-10-15(12)19-16(14)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyXKRZOXNJZRKASG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-anilinoquinoline-3-carboxylate

methyl 2-anilinoquinoline-3-carboxylate (PubChem CID 15723644) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-anilinoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-anilinoquinoline-3-carboxylate
PubChem CID15723644
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 2-anilinoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)14-11-12-7-5-6-10-15(12)19-16(14)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyXKRZOXNJZRKASG-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-anilinoquinoline-3-carboxylate?
The IUPAC name of methyl 2-anilinoquinoline-3-carboxylate (CID 15723644) is methyl 2-anilinoquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-anilinoquinoline-3-carboxylate?
The canonical SMILES for methyl 2-anilinoquinoline-3-carboxylate is COC(=O)c1cc2ccccc2nc1Nc1ccccc1.
What is the InChIKey of methyl 2-anilinoquinoline-3-carboxylate?
The InChIKey is XKRZOXNJZRKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-17(20)14-11-12-7-5-6-10-15(12)19-16(14)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19).
What are the key properties of methyl 2-anilinoquinoline-3-carboxylate?
methyl 2-anilinoquinoline-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilinoquinoline-3-carboxylate is sourced from PubChem (CID 15723644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).