7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride

C25H26ClN5O2 — CID 44528836

IUPAC7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride
SMILESCN1CCN(c2ccc(Nc3c(C(N)=O)cnc4cc(-c5ccoc5)ccc34)cc2)CC1.Cl
InChIInChI=1S/C25H25N5O2.ClH/c1-29-9-11-30(12-10-29)20-5-3-19(4-6-20)28-24-21-7-2-17(18-8-13-32-16-18)14-23(21)27-15-22(24)25(26)31;/h2-8,13-16H,9-12H2,1H3,(H2,26,31)(H,27,28);1H
InChIKeyWWDNURUEQFDKDV-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.51
Rot. Bonds5

About 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride

7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride (PubChem CID 44528836) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride
PubChem CID44528836
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride
SMILESCN1CCN(c2ccc(Nc3c(C(N)=O)cnc4cc(-c5ccoc5)ccc34)cc2)CC1.Cl
InChIInChI=1S/C25H25N5O2.ClH/c1-29-9-11-30(12-10-29)20-5-3-19(4-6-20)28-24-21-7-2-17(18-8-13-32-16-18)14-23(21)27-15-22(24)25(26)31;/h2-8,13-16H,9-12H2,1H3,(H2,26,31)(H,27,28);1H
InChIKeyWWDNURUEQFDKDV-UHFFFAOYSA-N
XLogP4.51
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride (CID 44528836) is 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride is CN1CCN(c2ccc(Nc3c(C(N)=O)cnc4cc(-c5ccoc5)ccc34)cc2)CC1.Cl.
What is the InChIKey of 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride?
The InChIKey is WWDNURUEQFDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.ClH/c1-29-9-11-30(12-10-29)20-5-3-19(4-6-20)28-24-21-7-2-17(18-8-13-32-16-18)14-23(21)27-15-22(24)25(26)31;/h2-8,13-16H,9-12H2,1H3,(H2,26,31)(H,27,28);1H.
What are the key properties of 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride?
7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride has a molecular weight of 463.97 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 44528836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).