6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile

C24H20N4O — CID 164556583

IUPAC6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCOc1ccc(-c2ccc3ncc(C#N)c(NC(C)c4ccccc4)c3c2)cn1
InChIInChI=1S/C24H20N4O/c1-16(17-6-4-3-5-7-17)28-24-20(13-25)15-26-22-10-8-18(12-21(22)24)19-9-11-23(29-2)27-14-19/h3-12,14-16H,1-2H3,(H,26,28)
InChIKeyOCHFPSOQQYNAIP-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.35
Rot. Bonds5

About 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile

6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 164556583) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
PubChem CID164556583
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCOc1ccc(-c2ccc3ncc(C#N)c(NC(C)c4ccccc4)c3c2)cn1
InChIInChI=1S/C24H20N4O/c1-16(17-6-4-3-5-7-17)28-24-20(13-25)15-26-22-10-8-18(12-21(22)24)19-9-11-23(29-2)27-14-19/h3-12,14-16H,1-2H3,(H,26,28)
InChIKeyOCHFPSOQQYNAIP-UHFFFAOYSA-N
XLogP5.35
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile (CID 164556583) is 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile is COc1ccc(-c2ccc3ncc(C#N)c(NC(C)c4ccccc4)c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is OCHFPSOQQYNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16(17-6-4-3-5-7-17)28-24-20(13-25)15-26-22-10-8-18(12-21(22)24)19-9-11-23(29-2)27-14-19/h3-12,14-16H,1-2H3,(H,26,28).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile?
6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 380.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 164556583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).