N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide

C24H25Cl2FN4O — CID 122183767

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C24H25Cl2FN4O/c25-20-4-3-5-22(23(20)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)18-14-17-15-19(27)6-7-21(17)29-16-18/h3-7,14-16H,1-2,8-13H2,(H,28,32)
InChIKeyOLJONOSWRLTMOI-UHFFFAOYSA-N
MW475.40 g/mol
LogP5.01
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide (PubChem CID 122183767) has the molecular formula C24H25Cl2FN4O and a molecular weight of 475.40 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide
PubChem CID122183767
Molecular FormulaC24H25Cl2FN4O
Molecular Weight475.40 g/mol
Exact Mass474.14
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C24H25Cl2FN4O/c25-20-4-3-5-22(23(20)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)18-14-17-15-19(27)6-7-21(17)29-16-18/h3-7,14-16H,1-2,8-13H2,(H,28,32)
InChIKeyOLJONOSWRLTMOI-UHFFFAOYSA-N
XLogP5.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide (CID 122183767) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide is O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(F)cc2c1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide?
The InChIKey is OLJONOSWRLTMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN4O/c25-20-4-3-5-22(23(20)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)18-14-17-15-19(27)6-7-21(17)29-16-18/h3-7,14-16H,1-2,8-13H2,(H,28,32).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide has a molecular weight of 475.40 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 122183767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).