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

C10H11N3O2 — CID 119089864

IUPACN-methyl-4-nitro-3,4-dihydroquinolin-3-amine
SMILESCNC1C=Nc2ccccc2C1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O2/c1-11-9-6-12-8-5-3-2-4-7(8)10(9)13(14)15/h2-6,9-11H,1H3
InChIKeyNANUMTQMFJDYFA-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.31
Rot. Bonds2

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

N-methyl-4-nitro-3,4-dihydroquinolin-3-amine (PubChem CID 119089864) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-methyl-4-nitro-3,4-dihydroquinolin-3-amine.

Molecular Properties

Compound NameN-methyl-4-nitro-3,4-dihydroquinolin-3-amine
PubChem CID119089864
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-methyl-4-nitro-3,4-dihydroquinolin-3-amine
SMILESCNC1C=Nc2ccccc2C1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O2/c1-11-9-6-12-8-5-3-2-4-7(8)10(9)13(14)15/h2-6,9-11H,1H3
InChIKeyNANUMTQMFJDYFA-UHFFFAOYSA-N
XLogP1.31
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.31
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'}

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Related Compounds

2-methyl-3-nitro-3,4-dihydroquinolin-4-amine
CID 178085206
3-nitro-3H-indazole
CID 173392250
9-methyl-10-nitro-9,10-dihydroanthracene
CID 13004595
3H-indol-3-ylmethanamine
CID 118101645
(3S)-N-(2-chlorophenoxy)-3-nitro-3H-indol-2-amine
CID 6990616
N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide
CID 142101410
(4S,5R)-5-methyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 7073343
1-(2-chloro-4-nitroimidazol-1-yl)-6-(3H-indol-3-yl)-2-methylhexan-2-ol
CID 141290215
1,2-dichlorobenzene;nitromethane
CID 174874189
(5Z)-5-(3H-indol-3-ylmethylidene)-3-methylimidazolidine-2,4-dione
CID 90476253
(4S,5R)-5-ethyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 7073339
3-(2-butylhexyl)-3H-indole
CID 155076181

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-3,4-dihydroquinolin-3-amine?
The IUPAC name of N-methyl-4-nitro-3,4-dihydroquinolin-3-amine (CID 119089864) is N-methyl-4-nitro-3,4-dihydroquinolin-3-amine.
What is the SMILES notation for N-methyl-4-nitro-3,4-dihydroquinolin-3-amine?
The canonical SMILES for N-methyl-4-nitro-3,4-dihydroquinolin-3-amine is CNC1C=Nc2ccccc2C1[N+](=O)[O-].
What is the InChIKey of N-methyl-4-nitro-3,4-dihydroquinolin-3-amine?
The InChIKey is NANUMTQMFJDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-11-9-6-12-8-5-3-2-4-7(8)10(9)13(14)15/h2-6,9-11H,1H3.
What are the key properties of N-methyl-4-nitro-3,4-dihydroquinolin-3-amine?
N-methyl-4-nitro-3,4-dihydroquinolin-3-amine has a molecular weight of 205.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-3,4-dihydroquinolin-3-amine is sourced from PubChem (CID 119089864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).