N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide

C25H17ClN4O — CID 24789075

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C25H17ClN4O/c26-21-11-10-19(29-25(31)18-12-17-8-4-5-9-22(17)27-14-18)13-20(21)24-28-15-23(30-24)16-6-2-1-3-7-16/h1-15H,(H,28,30)(H,29,31)
InChIKeyBJRJWPDHZACWKO-UHFFFAOYSA-N
MW424.89 g/mol
LogP6.20
Rot. Bonds4

About N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide (PubChem CID 24789075) has the molecular formula C25H17ClN4O and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
PubChem CID24789075
Molecular FormulaC25H17ClN4O
Molecular Weight424.89 g/mol
Exact Mass424.11
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C25H17ClN4O/c26-21-11-10-19(29-25(31)18-12-17-8-4-5-9-22(17)27-14-18)13-20(21)24-28-15-23(30-24)16-6-2-1-3-7-16/h1-15H,(H,28,30)(H,29,31)
InChIKeyBJRJWPDHZACWKO-UHFFFAOYSA-N
XLogP6.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide (CID 24789075) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cnc2ccccc2c1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide?
The InChIKey is BJRJWPDHZACWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O/c26-21-11-10-19(29-25(31)18-12-17-8-4-5-9-22(17)27-14-18)13-20(21)24-28-15-23(30-24)16-6-2-1-3-7-16/h1-15H,(H,28,30)(H,29,31).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 24789075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).