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

C18H19N3O3 — CID 122558905

IUPAC1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCC(C)c1cc(CNC(=O)c2cc(=O)n(C)c3ccccc23)no1
InChIInChI=1S/C18H19N3O3/c1-11(2)16-8-12(20-24-16)10-19-18(23)14-9-17(22)21(3)15-7-5-4-6-13(14)15/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyPRIBINXDYGMKJS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.58
Rot. Bonds4

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

1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 122558905) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
PubChem CID122558905
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCC(C)c1cc(CNC(=O)c2cc(=O)n(C)c3ccccc23)no1
InChIInChI=1S/C18H19N3O3/c1-11(2)16-8-12(20-24-16)10-19-18(23)14-9-17(22)21(3)15-7-5-4-6-13(14)15/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyPRIBINXDYGMKJS-UHFFFAOYSA-N
XLogP2.58
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide (CID 122558905) is 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide is CC(C)c1cc(CNC(=O)c2cc(=O)n(C)c3ccccc23)no1.
What is the InChIKey of 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is PRIBINXDYGMKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(2)16-8-12(20-24-16)10-19-18(23)14-9-17(22)21(3)15-7-5-4-6-13(14)15/h4-9,11H,10H2,1-3H3,(H,19,23).
What are the key properties of 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 122558905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).