2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide

C26H25N3O — CID 15990822

IUPAC2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NC(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O/c1-3-19-11-7-9-15-23(19)28-25-17-22(21-14-8-10-16-24(21)29-25)26(30)27-18(2)20-12-5-4-6-13-20/h4-18H,3H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyPHCBUVUSOUYGFO-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.03
Rot. Bonds6

About 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide

2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 15990822) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID15990822
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NC(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O/c1-3-19-11-7-9-15-23(19)28-25-17-22(21-14-8-10-16-24(21)29-25)26(30)27-18(2)20-12-5-4-6-13-20/h4-18H,3H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyPHCBUVUSOUYGFO-UHFFFAOYSA-N
XLogP6.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide (CID 15990822) is 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)NC(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is PHCBUVUSOUYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-3-19-11-7-9-15-23(19)28-25-17-22(21-14-8-10-16-24(21)29-25)26(30)27-18(2)20-12-5-4-6-13-20/h4-18H,3H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide?
2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 15990822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).