2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

C22H19N3O4 — CID 4671245

IUPAC2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C22H19N3O4/c1-13-10-21(25-29-13)24-22(26)17-12-19(23-18-7-5-4-6-15(17)18)16-9-8-14(27-2)11-20(16)28-3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyIPBDPSZFJCGOPB-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.47
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 4671245) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID4671245
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C22H19N3O4/c1-13-10-21(25-29-13)24-22(26)17-12-19(23-18-7-5-4-6-15(17)18)16-9-8-14(27-2)11-20(16)28-3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyIPBDPSZFJCGOPB-UHFFFAOYSA-N
XLogP4.47
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 4671245) is 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is IPBDPSZFJCGOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-10-21(25-29-13)24-22(26)17-12-19(23-18-7-5-4-6-15(17)18)16-9-8-14(27-2)11-20(16)28-3/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4671245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).