2-methyl-3-nitro-3,4-dihydroquinolin-4-amine

C10H11N3O2 — CID 178085206

IUPAC2-methyl-3-nitro-3,4-dihydroquinolin-4-amine
SMILESCC1=Nc2ccccc2C(N)C1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5,9-10H,11H2,1H3
InChIKeyGJDRIYZCNFEQPZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.44
Rot. Bonds1

About 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine

2-methyl-3-nitro-3,4-dihydroquinolin-4-amine (PubChem CID 178085206) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-3-nitro-3,4-dihydroquinolin-4-amine
PubChem CID178085206
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-methyl-3-nitro-3,4-dihydroquinolin-4-amine
SMILESCC1=Nc2ccccc2C(N)C1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5,9-10H,11H2,1H3
InChIKeyGJDRIYZCNFEQPZ-UHFFFAOYSA-N
XLogP1.44
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
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'}

Analyze 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine 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

3-nitro-3H-indazole
CID 173392250
N-methyl-4-nitro-3,4-dihydroquinolin-3-amine
CID 119089864
2-aminoethyl 2,6-dimethyl-4-(2-methylphenyl)-3-nitro-3,4-dihydropyridine-5-carboxylate
CID 54449181
methyl 2,6-dimethyl-3-nitro-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 90988130
(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7700112
3-methyl-3H-indol-2-amine
CID 59934955
9-methyl-10-nitro-9,10-dihydroanthracene
CID 13004595
4-(1,3,2-benzodioxazol-4-yl)-2,6-dimethyl-3-nitro-3,4-dihydropyridine-5-carboxylic acid
CID 54235075
bis(1,3,3-trimethyl-2-[(E)-2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium);sulfate
CID 21117037
2,3,5,6-tetramethyl-4-(2-nitrophenyl)-3,4-dihydropyridine
CID 56631080
(3S)-N-(2-chlorophenoxy)-3-nitro-3H-indol-2-amine
CID 6990616
4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90732303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine?
The IUPAC name of 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine (CID 178085206) is 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine.
What is the SMILES notation for 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine?
The canonical SMILES for 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine is CC1=Nc2ccccc2C(N)C1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine?
The InChIKey is GJDRIYZCNFEQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5,9-10H,11H2,1H3.
What are the key properties of 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine?
2-methyl-3-nitro-3,4-dihydroquinolin-4-amine has a molecular weight of 205.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-3,4-dihydroquinolin-4-amine is sourced from PubChem (CID 178085206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).