2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide

C23H21N3O3 — CID 1225767

IUPAC2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCC(C)COc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1
InChIInChI=1S/C23H21N3O3/c1-15(2)14-28-17-7-5-6-16(12-17)21-13-19(18-8-3-4-9-20(18)24-21)23(27)25-22-10-11-29-26-22/h3-13,15H,14H2,1-2H3,(H,25,26,27)
InChIKeyYAMBOUCIEFSIGE-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.18
Rot. Bonds6

About 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide

2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 1225767) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID1225767
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCC(C)COc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1
InChIInChI=1S/C23H21N3O3/c1-15(2)14-28-17-7-5-6-16(12-17)21-13-19(18-8-3-4-9-20(18)24-21)23(27)25-22-10-11-29-26-22/h3-13,15H,14H2,1-2H3,(H,25,26,27)
InChIKeyYAMBOUCIEFSIGE-UHFFFAOYSA-N
XLogP5.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 1225767) is 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide is CC(C)COc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1.
What is the InChIKey of 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is YAMBOUCIEFSIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(2)14-28-17-7-5-6-16(12-17)21-13-19(18-8-3-4-9-20(18)24-21)23(27)25-22-10-11-29-26-22/h3-13,15H,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1225767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).