2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione

C15H13N3O4 — CID 141472511

IUPAC2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione
SMILESNc1cc(=O)c2c(n1-c1ccccc1[N+](=O)[O-])CCCC2=O
InChIInChI=1S/C15H13N3O4/c16-14-8-13(20)15-11(6-3-7-12(15)19)17(14)9-4-1-2-5-10(9)18(21)22/h1-2,4-5,8H,3,6-7,16H2
InChIKeyRXNFYCCZOKXPNV-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione

2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione (PubChem CID 141472511) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione.

Molecular Properties

Compound Name2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione
PubChem CID141472511
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione
SMILESNc1cc(=O)c2c(n1-c1ccccc1[N+](=O)[O-])CCCC2=O
InChIInChI=1S/C15H13N3O4/c16-14-8-13(20)15-11(6-3-7-12(15)19)17(14)9-4-1-2-5-10(9)18(21)22/h1-2,4-5,8H,3,6-7,16H2
InChIKeyRXNFYCCZOKXPNV-UHFFFAOYSA-N
XLogP1.85
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.85
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'}

Analyze 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione
CID 141472520
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626
1-(4-methyl-3-nitrophenyl)-3-phenyl-6,7-dihydro-5H-indazol-4-one
CID 110458780
3-methyl-2-[4-(2-nitrophenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 38504479
5-(2-nitrobenzoyl)-7,8-dihydro-6H-pyrido[3,2-b]indol-9-one
CID 117071566
5-amino-2-(2-nitrophenyl)-4H-pyrazol-3-one
CID 83535658
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
1-(2-methyl-5-nitrophenyl)-3-phenyl-6,7-dihydro-5H-indazol-4-one
CID 110458777
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
CID 21297656

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione?
The IUPAC name of 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione (CID 141472511) is 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione.
What is the SMILES notation for 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione?
The canonical SMILES for 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione is Nc1cc(=O)c2c(n1-c1ccccc1[N+](=O)[O-])CCCC2=O.
What is the InChIKey of 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione?
The InChIKey is RXNFYCCZOKXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c16-14-8-13(20)15-11(6-3-7-12(15)19)17(14)9-4-1-2-5-10(9)18(21)22/h1-2,4-5,8H,3,6-7,16H2.
What are the key properties of 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione?
2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione has a molecular weight of 299.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione is sourced from PubChem (CID 141472511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).