N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

C24H23N3O3 — CID 1223907

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)no1
InChIInChI=1S/C24H23N3O3/c1-15(2)14-29-18-8-6-7-17(12-18)22-13-20(19-9-4-5-10-21(19)25-22)24(28)26-23-11-16(3)30-27-23/h4-13,15H,14H2,1-3H3,(H,26,27,28)
InChIKeyXVIXASPWAQTCJY-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.49
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide (PubChem CID 1223907) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
PubChem CID1223907
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)no1
InChIInChI=1S/C24H23N3O3/c1-15(2)14-29-18-8-6-7-17(12-18)22-13-20(19-9-4-5-10-21(19)25-22)24(28)26-23-11-16(3)30-27-23/h4-13,15H,14H2,1-3H3,(H,26,27,28)
InChIKeyXVIXASPWAQTCJY-UHFFFAOYSA-N
XLogP5.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide (CID 1223907) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The InChIKey is XVIXASPWAQTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15(2)14-29-18-8-6-7-17(12-18)22-13-20(19-9-4-5-10-21(19)25-22)24(28)26-23-11-16(3)30-27-23/h4-13,15H,14H2,1-3H3,(H,26,27,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 1223907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).