N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide

C24H15ClN4O2 — CID 139825887

IUPACN-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide
SMILESO=C(Nc1onc(-c2cccc(Cl)c2)c1-c1ccncc1)c1ccnc2ccccc12
InChIInChI=1S/C24H15ClN4O2/c25-17-5-3-4-16(14-17)22-21(15-8-11-26-12-9-15)24(31-29-22)28-23(30)19-10-13-27-20-7-2-1-6-18(19)20/h1-14H,(H,28,30)
InChIKeyZZKQUQKTWGOZJV-UHFFFAOYSA-N
MW426.86 g/mol
LogP5.86
Rot. Bonds4

About N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide

N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide (PubChem CID 139825887) has the molecular formula C24H15ClN4O2 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide
PubChem CID139825887
Molecular FormulaC24H15ClN4O2
Molecular Weight426.86 g/mol
Exact Mass426.09
IUPAC NameN-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide
SMILESO=C(Nc1onc(-c2cccc(Cl)c2)c1-c1ccncc1)c1ccnc2ccccc12
InChIInChI=1S/C24H15ClN4O2/c25-17-5-3-4-16(14-17)22-21(15-8-11-26-12-9-15)24(31-29-22)28-23(30)19-10-13-27-20-7-2-1-6-18(19)20/h1-14H,(H,28,30)
InChIKeyZZKQUQKTWGOZJV-UHFFFAOYSA-N
XLogP5.86
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.86
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide (CID 139825887) is N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide is O=C(Nc1onc(-c2cccc(Cl)c2)c1-c1ccncc1)c1ccnc2ccccc12.
What is the InChIKey of N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide?
The InChIKey is ZZKQUQKTWGOZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O2/c25-17-5-3-4-16(14-17)22-21(15-8-11-26-12-9-15)24(31-29-22)28-23(30)19-10-13-27-20-7-2-1-6-18(19)20/h1-14H,(H,28,30).
What are the key properties of N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide?
N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide is sourced from PubChem (CID 139825887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).