2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide

C24H24N4O2 — CID 177380071

IUPAC2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)Nc2cccc(-n3cnc(C)c3)c2)c2ccccc2n1
InChIInChI=1S/C24H24N4O2/c1-3-4-12-30-23-14-21(20-10-5-6-11-22(20)27-23)24(29)26-18-8-7-9-19(13-18)28-15-17(2)25-16-28/h5-11,13-16H,3-4,12H2,1-2H3,(H,26,29)
InChIKeyLBBCHLHLCJAAPR-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.16
Rot. Bonds7

About 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide

2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide (PubChem CID 177380071) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide
PubChem CID177380071
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)Nc2cccc(-n3cnc(C)c3)c2)c2ccccc2n1
InChIInChI=1S/C24H24N4O2/c1-3-4-12-30-23-14-21(20-10-5-6-11-22(20)27-23)24(29)26-18-8-7-9-19(13-18)28-15-17(2)25-16-28/h5-11,13-16H,3-4,12H2,1-2H3,(H,26,29)
InChIKeyLBBCHLHLCJAAPR-UHFFFAOYSA-N
XLogP5.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide (CID 177380071) is 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide is CCCCOc1cc(C(=O)Nc2cccc(-n3cnc(C)c3)c2)c2ccccc2n1.
What is the InChIKey of 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide?
The InChIKey is LBBCHLHLCJAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-4-12-30-23-14-21(20-10-5-6-11-22(20)27-23)24(29)26-18-8-7-9-19(13-18)28-15-17(2)25-16-28/h5-11,13-16H,3-4,12H2,1-2H3,(H,26,29).
What are the key properties of 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide?
2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[3-(4-methylimidazol-1-yl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 177380071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).