ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate

C27H26N2O2 — CID 15669491

IUPACethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-3-29(19-20-13-7-5-8-14-20)26-25(27(30)31-4-2)24(21-15-9-6-10-16-21)22-17-11-12-18-23(22)28-26/h5-18H,3-4,19H2,1-2H3
InChIKeyLSEIUEBWUJORCH-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.11
Rot. Bonds7

About ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate

ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate (PubChem CID 15669491) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate
PubChem CID15669491
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Nameethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-3-29(19-20-13-7-5-8-14-20)26-25(27(30)31-4-2)24(21-15-9-6-10-16-21)22-17-11-12-18-23(22)28-26/h5-18H,3-4,19H2,1-2H3
InChIKeyLSEIUEBWUJORCH-UHFFFAOYSA-N
XLogP6.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate?
The IUPAC name of ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate (CID 15669491) is ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate is CCOC(=O)c1c(N(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate?
The InChIKey is LSEIUEBWUJORCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-3-29(19-20-13-7-5-8-14-20)26-25(27(30)31-4-2)24(21-15-9-6-10-16-21)22-17-11-12-18-23(22)28-26/h5-18H,3-4,19H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate?
ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate has a molecular weight of 410.52 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(ethyl)amino]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 15669491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).