6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine

C12H13N3O3 — CID 619014

IUPAC6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine
SMILESCOc1cc([N+](=O)[O-])c2ncccc2c1N(C)C
InChIInChI=1S/C12H13N3O3/c1-14(2)12-8-5-4-6-13-11(8)9(15(16)17)7-10(12)18-3/h4-7H,1-3H3
InChIKeyYXRLSYOELCNJFV-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.22
Rot. Bonds3

About 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine

6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine (PubChem CID 619014) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine
PubChem CID619014
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine
SMILESCOc1cc([N+](=O)[O-])c2ncccc2c1N(C)C
InChIInChI=1S/C12H13N3O3/c1-14(2)12-8-5-4-6-13-11(8)9(15(16)17)7-10(12)18-3/h4-7H,1-3H3
InChIKeyYXRLSYOELCNJFV-UHFFFAOYSA-N
XLogP2.22
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
CID 57350827
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
2-methoxy-N,N-dimethyl-4,6-dinitroaniline
CID 50879932
6,7-dimethoxy-8-nitroquinoline
CID 616387
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
CID 166065865
(3,4-dimethoxyphenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 31662357
3-methoxy-2-nitropyridine
CID 556063
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine?
The IUPAC name of 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine (CID 619014) is 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine?
The canonical SMILES for 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine is COc1cc([N+](=O)[O-])c2ncccc2c1N(C)C.
What is the InChIKey of 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine?
The InChIKey is YXRLSYOELCNJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14(2)12-8-5-4-6-13-11(8)9(15(16)17)7-10(12)18-3/h4-7H,1-3H3.
What are the key properties of 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine?
6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine has a molecular weight of 247.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine is sourced from PubChem (CID 619014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).