2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

C24H23ClN4O2 — CID 122423968

IUPAC2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C24H23ClN4O2/c1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30)
InChIKeyFXEZHEWEXHHHIB-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.04
Rot. Bonds8

About 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122423968) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122423968
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C24H23ClN4O2/c1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30)
InChIKeyFXEZHEWEXHHHIB-UHFFFAOYSA-N
XLogP5.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.04
H-Bond Donors ≤ 52
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 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (CID 122423968) is 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is FXEZHEWEXHHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122423968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).