6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one

C15H13N3O3 — CID 170034457

IUPAC6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3ccccc3[N+](=O)[O-])ccc2N1
InChIInChI=1S/C15H13N3O3/c19-15-8-5-10-9-11(6-7-12(10)17-15)16-13-3-1-2-4-14(13)18(20)21/h1-4,6-7,9,16H,5,8H2,(H,17,19)
InChIKeyBRVNPKNGTRENFC-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.22
Rot. Bonds3

About 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one

6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 170034457) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID170034457
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3ccccc3[N+](=O)[O-])ccc2N1
InChIInChI=1S/C15H13N3O3/c19-15-8-5-10-9-11(6-7-12(10)17-15)16-13-3-1-2-4-14(13)18(20)21/h1-4,6-7,9,16H,5,8H2,(H,17,19)
InChIKeyBRVNPKNGTRENFC-UHFFFAOYSA-N
XLogP3.22
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one
CID 156729563
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-[(1-methylpyrazol-4-yl)amino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43543823
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
7-nitro-6-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43449837
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 55611783
N-(2-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840854

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one (CID 170034457) is 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3ccccc3[N+](=O)[O-])ccc2N1.
What is the InChIKey of 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BRVNPKNGTRENFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15-8-5-10-9-11(6-7-12(10)17-15)16-13-3-1-2-4-14(13)18(20)21/h1-4,6-7,9,16H,5,8H2,(H,17,19).
What are the key properties of 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one?
6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 170034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).