6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one

C24H25N3O4 — CID 158476838

IUPAC6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
SMILESCCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21.CCCn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H12N2O3.C12H13NO/c1-2-7-13-11-5-4-10(14(16)17)8-9(11)3-6-12(13)15;1-2-9-13-11-6-4-3-5-10(11)7-8-12(13)14/h3-6,8H,2,7H2,1H3;3-8H,2,9H2,1H3
InChIKeyHHAVDODDSPTQLC-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.73
Rot. Bonds5

About 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one

6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one (PubChem CID 158476838) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one.

Molecular Properties

Compound Name6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
PubChem CID158476838
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
SMILESCCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21.CCCn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H12N2O3.C12H13NO/c1-2-7-13-11-5-4-10(14(16)17)8-9(11)3-6-12(13)15;1-2-9-13-11-6-4-3-5-10(11)7-8-12(13)14/h3-6,8H,2,7H2,1H3;3-8H,2,9H2,1H3
InChIKeyHHAVDODDSPTQLC-UHFFFAOYSA-N
XLogP4.73
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
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

6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one
CID 159549926
6-methyl-1-propylquinolin-2-one
CID 122456070
N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
CID 100712098
1-butyl-2-(4-nitrophenyl)indole
CID 12654268
ethyl 5-nitro-1-propylindole-2-carboxylate
CID 12068604
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole
CID 780051
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
6-[(4-methylphenyl)methylsulfanylamino]-1-propylquinolin-2-one
CID 145343180
5-nitro-1-(2-phenylethyl)indole-2-carboxylic acid
CID 164627611
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one?
The IUPAC name of 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one (CID 158476838) is 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one.
What is the SMILES notation for 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one?
The canonical SMILES for 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one is CCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21.CCCn1c(=O)ccc2ccccc21.
What is the InChIKey of 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one?
The InChIKey is HHAVDODDSPTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C12H13NO/c1-2-7-13-11-5-4-10(14(16)17)8-9(11)3-6-12(13)15;1-2-9-13-11-6-4-3-5-10(11)7-8-12(13)14/h3-6,8H,2,7H2,1H3;3-8H,2,9H2,1H3.
What are the key properties of 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one?
6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one has a molecular weight of 419.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one is sourced from PubChem (CID 158476838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).