ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate

C21H22N2O2 — CID 696527

IUPACethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N(C)Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-4-25-21(24)18-13-22-19-11-10-15(2)12-17(19)20(18)23(3)14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
InChIKeyWFNQRRMZAAZMSC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.36
Rot. Bonds5

About ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate

ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate (PubChem CID 696527) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
PubChem CID696527
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nameethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N(C)Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-4-25-21(24)18-13-22-19-11-10-15(2)12-17(19)20(18)23(3)14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
InChIKeyWFNQRRMZAAZMSC-UHFFFAOYSA-N
XLogP4.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3360
CID 3360
CID 68089
CID 68089
CID 60195662
CID 60195662
CID 736812
CID 736812
CID 80971
CID 80971
CID 82571
CID 82571
CID 1568488
CID 1568488
CID 216222
CID 216222
CID 663463
CID 663463
CID 647634
CID 647634
CID 1568449
CID 1568449
CID 1643514
CID 1643514

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate (CID 696527) is ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1N(C)Cc1ccccc1.
What is the InChIKey of ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate?
The InChIKey is WFNQRRMZAAZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-25-21(24)18-13-22-19-11-10-15(2)12-17(19)20(18)23(3)14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate?
ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 696527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).