2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile

C24H19N3 — CID 70251523

IUPAC2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile
SMILESCC(c1ccccc1)c1c(C#N)c(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19N3/c1-17(18-10-4-2-5-11-18)23-20-14-8-9-15-22(20)27-24(21(23)16-25)26-19-12-6-3-7-13-19/h2-15,17H,1H3,(H,26,27)
InChIKeyDEXYQULFVVFVOQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP6.00
Rot. Bonds4

About 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile

2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile (PubChem CID 70251523) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile
PubChem CID70251523
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile
SMILESCC(c1ccccc1)c1c(C#N)c(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19N3/c1-17(18-10-4-2-5-11-18)23-20-14-8-9-15-22(20)27-24(21(23)16-25)26-19-12-6-3-7-13-19/h2-15,17H,1H3,(H,26,27)
InChIKeyDEXYQULFVVFVOQ-UHFFFAOYSA-N
XLogP6.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile?
The IUPAC name of 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile (CID 70251523) is 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile is CC(c1ccccc1)c1c(C#N)c(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile?
The InChIKey is DEXYQULFVVFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-17(18-10-4-2-5-11-18)23-20-14-8-9-15-22(20)27-24(21(23)16-25)26-19-12-6-3-7-13-19/h2-15,17H,1H3,(H,26,27).
What are the key properties of 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile?
2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 70251523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).