6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide

C32H30N4O4 — CID 170383872

IUPAC6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2ccc3nc(-c4ccco4)cc(C(=O)Nc4ccc(N5CCNCC5)cc4)c3c2)cc1OC
InChIInChI=1S/C32H30N4O4/c1-38-30-12-6-22(19-31(30)39-2)21-5-11-27-25(18-21)26(20-28(35-27)29-4-3-17-40-29)32(37)34-23-7-9-24(10-8-23)36-15-13-33-14-16-36/h3-12,17-20,33H,13-16H2,1-2H3,(H,34,37)
InChIKeyCXWGEBMBHQMXDH-UHFFFAOYSA-N
MW534.62 g/mol
LogP5.84
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide

6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide (PubChem CID 170383872) has the molecular formula C32H30N4O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide
PubChem CID170383872
Molecular FormulaC32H30N4O4
Molecular Weight534.62 g/mol
Exact Mass534.23
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2ccc3nc(-c4ccco4)cc(C(=O)Nc4ccc(N5CCNCC5)cc4)c3c2)cc1OC
InChIInChI=1S/C32H30N4O4/c1-38-30-12-6-22(19-31(30)39-2)21-5-11-27-25(18-21)26(20-28(35-27)29-4-3-17-40-29)32(37)34-23-7-9-24(10-8-23)36-15-13-33-14-16-36/h3-12,17-20,33H,13-16H2,1-2H3,(H,34,37)
InChIKeyCXWGEBMBHQMXDH-UHFFFAOYSA-N
XLogP5.84
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide (CID 170383872) is 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide is COc1ccc(-c2ccc3nc(-c4ccco4)cc(C(=O)Nc4ccc(N5CCNCC5)cc4)c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide?
The InChIKey is CXWGEBMBHQMXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O4/c1-38-30-12-6-22(19-31(30)39-2)21-5-11-27-25(18-21)26(20-28(35-27)29-4-3-17-40-29)32(37)34-23-7-9-24(10-8-23)36-15-13-33-14-16-36/h3-12,17-20,33H,13-16H2,1-2H3,(H,34,37).
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide?
6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide has a molecular weight of 534.62 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 170383872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).