methyl 4-anilinoquinoline-2-carboxylate

C17H14N2O2 — CID 53010925

IUPACmethyl 4-anilinoquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)16-11-15(18-12-7-3-2-4-8-12)13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H,18,19)
InChIKeyRKPSGUJYUYHTKE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.77
Rot. Bonds3

About methyl 4-anilinoquinoline-2-carboxylate

methyl 4-anilinoquinoline-2-carboxylate (PubChem CID 53010925) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-anilinoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilinoquinoline-2-carboxylate
PubChem CID53010925
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 4-anilinoquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)16-11-15(18-12-7-3-2-4-8-12)13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H,18,19)
InChIKeyRKPSGUJYUYHTKE-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 4-anilinoquinoline-2-carboxylate?
The IUPAC name of methyl 4-anilinoquinoline-2-carboxylate (CID 53010925) is methyl 4-anilinoquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-anilinoquinoline-2-carboxylate?
The canonical SMILES for methyl 4-anilinoquinoline-2-carboxylate is COC(=O)c1cc(Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of methyl 4-anilinoquinoline-2-carboxylate?
The InChIKey is RKPSGUJYUYHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-17(20)16-11-15(18-12-7-3-2-4-8-12)13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H,18,19).
What are the key properties of methyl 4-anilinoquinoline-2-carboxylate?
methyl 4-anilinoquinoline-2-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 4-anilinoquinoline-2-carboxylate is sourced from PubChem (CID 53010925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).