ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate

C20H20N2O3 — CID 696459

IUPACethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-25-20(23)17-13-21-18-10-9-15(24-2)11-16(18)19(17)22-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyWVQDCAUNYTWULI-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds6

About ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate

ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate (PubChem CID 696459) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate
PubChem CID696459
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-25-20(23)17-13-21-18-10-9-15(24-2)11-16(18)19(17)22-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyWVQDCAUNYTWULI-UHFFFAOYSA-N
XLogP4.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate (CID 696459) is ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1NCc1ccccc1.
What is the InChIKey of ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate?
The InChIKey is WVQDCAUNYTWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-20(23)17-13-21-18-10-9-15(24-2)11-16(18)19(17)22-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate?
ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylamino)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 696459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).