N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide

C17H16N4O4 — CID 75507854

IUPACN-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2ncoc2C(C)C)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C17H16N4O4/c1-9(2)16-15(18-8-25-16)17(22)20-14-6-10(3)19-13-5-4-11(21(23)24)7-12(13)14/h4-9H,1-3H3,(H,19,20,22)
InChIKeyKAVWYGRRTCAQSR-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.82
Rot. Bonds4

About N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 75507854) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID75507854
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2ncoc2C(C)C)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C17H16N4O4/c1-9(2)16-15(18-8-25-16)17(22)20-14-6-10(3)19-13-5-4-11(21(23)24)7-12(13)14/h4-9H,1-3H3,(H,19,20,22)
InChIKeyKAVWYGRRTCAQSR-UHFFFAOYSA-N
XLogP3.82
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.82
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-(1,2-oxazol-3-yl)acetamide
CID 75507851
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
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86793217
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108802569
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 75507854) is N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1cc(NC(=O)c2ncoc2C(C)C)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is KAVWYGRRTCAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-9(2)16-15(18-8-25-16)17(22)20-14-6-10(3)19-13-5-4-11(21(23)24)7-12(13)14/h4-9H,1-3H3,(H,19,20,22).
What are the key properties of N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 3.82, 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)-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75507854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).