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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-3-isoxazolyl-2-phenyl-4-quinolinecarboxamide
CID 899144
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 2092924
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
CID 4014148
2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4671245
2-(6-Ethoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176245
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
CID 1223907
2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1223866
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide
CID 4649795
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2101583
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2116857
1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone
CID 404362
5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-1,2,4-oxadiazole
CID 127041292

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).