N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide

C25H15Cl2N3O2 — CID 44530519

IUPACN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C25H15Cl2N3O2/c26-19-8-4-9-20(27)24(19)22-13-23(32-30-22)16-6-3-7-18(12-16)29-25(31)17-11-15-5-1-2-10-21(15)28-14-17/h1-14H,(H,29,31)
InChIKeyMAZHKFWIUGREHC-UHFFFAOYSA-N
MW460.32 g/mol
LogP7.12
Rot. Bonds4

About N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide

N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide (PubChem CID 44530519) has the molecular formula C25H15Cl2N3O2 and a molecular weight of 460.32 g/mol. Its IUPAC name is N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide
PubChem CID44530519
Molecular FormulaC25H15Cl2N3O2
Molecular Weight460.32 g/mol
Exact Mass459.05
IUPAC NameN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C25H15Cl2N3O2/c26-19-8-4-9-20(27)24(19)22-13-23(32-30-22)16-6-3-7-18(12-16)29-25(31)17-11-15-5-1-2-10-21(15)28-14-17/h1-14H,(H,29,31)
InChIKeyMAZHKFWIUGREHC-UHFFFAOYSA-N
XLogP7.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.32
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide (CID 44530519) is N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide is O=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)c1cnc2ccccc2c1.
What is the InChIKey of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide?
The InChIKey is MAZHKFWIUGREHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N3O2/c26-19-8-4-9-20(27)24(19)22-13-23(32-30-22)16-6-3-7-18(12-16)29-25(31)17-11-15-5-1-2-10-21(15)28-14-17/h1-14H,(H,29,31).
What are the key properties of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide?
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide has a molecular weight of 460.32 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 44530519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).