5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide

C16H16N4O3 — CID 94947357

IUPAC5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)on2)c(=O)c2c(N)cccc21
InChIInChI=1S/C16H16N4O3/c1-3-20-8-10(16(22)18-13-7-9(2)23-19-13)15(21)14-11(17)5-4-6-12(14)20/h4-8H,3,17H2,1-2H3,(H,18,19,22)
InChIKeyMEKDOZDDWGGOPR-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide

5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide (PubChem CID 94947357) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide
PubChem CID94947357
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)on2)c(=O)c2c(N)cccc21
InChIInChI=1S/C16H16N4O3/c1-3-20-8-10(16(22)18-13-7-9(2)23-19-13)15(21)14-11(17)5-4-6-12(14)20/h4-8H,3,17H2,1-2H3,(H,18,19,22)
InChIKeyMEKDOZDDWGGOPR-UHFFFAOYSA-N
XLogP2.15
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
CID 82212559
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 22582914

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide (CID 94947357) is 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(C)on2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide?
The InChIKey is MEKDOZDDWGGOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-20-8-10(16(22)18-13-7-9(2)23-19-13)15(21)14-11(17)5-4-6-12(14)20/h4-8H,3,17H2,1-2H3,(H,18,19,22).
What are the key properties of 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide?
5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).