N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide

C15H12N4O4 — CID 75507851

IUPACN-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccon2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H12N4O4/c1-9-6-14(17-15(20)7-10-4-5-23-18-10)12-8-11(19(21)22)2-3-13(12)16-9/h2-6,8H,7H2,1H3,(H,16,17,20)
InChIKeyCWOSKNCAVKCBLC-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.62
Rot. Bonds4

About N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide

N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 75507851) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
PubChem CID75507851
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC NameN-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccon2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H12N4O4/c1-9-6-14(17-15(20)7-10-4-5-23-18-10)12-8-11(19(21)22)2-3-13(12)16-9/h2-6,8H,7H2,1H3,(H,16,17,20)
InChIKeyCWOSKNCAVKCBLC-UHFFFAOYSA-N
XLogP2.62
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
CID 75507864
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86793217
N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75507854
2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
CID 86793222
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
2-methyl-6-nitroquinolin-4-amine
CID 11735841
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
N-[(4-methoxyoxan-4-yl)methyl]-2-methyl-6-nitroquinolin-4-amine
CID 75476726

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide (CID 75507851) is N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cc2ccon2)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is CWOSKNCAVKCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-9-6-14(17-15(20)7-10-4-5-23-18-10)12-8-11(19(21)22)2-3-13(12)16-9/h2-6,8H,7H2,1H3,(H,16,17,20).
What are the key properties of N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 312.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 75507851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).