6-methoxy-4-methyl-8-nitroquinolin-7-amine

C11H11N3O3 — CID 593976

IUPAC6-methoxy-4-methyl-8-nitroquinolin-7-amine
SMILESCOc1cc2c(C)ccnc2c([N+](=O)[O-])c1N
InChIInChI=1S/C11H11N3O3/c1-6-3-4-13-10-7(6)5-8(17-2)9(12)11(10)14(15)16/h3-5H,12H2,1-2H3
InChIKeyAYVQSKGHGXBUQX-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.04
Rot. Bonds2

About 6-methoxy-4-methyl-8-nitroquinolin-7-amine

6-methoxy-4-methyl-8-nitroquinolin-7-amine (PubChem CID 593976) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-methoxy-4-methyl-8-nitroquinolin-7-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-8-nitroquinolin-7-amine
PubChem CID593976
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-methoxy-4-methyl-8-nitroquinolin-7-amine
SMILESCOc1cc2c(C)ccnc2c([N+](=O)[O-])c1N
InChIInChI=1S/C11H11N3O3/c1-6-3-4-13-10-7(6)5-8(17-2)9(12)11(10)14(15)16/h3-5H,12H2,1-2H3
InChIKeyAYVQSKGHGXBUQX-UHFFFAOYSA-N
XLogP2.04
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-methoxy-4-methyl-8-nitroquinoline
CID 619863
4-bromo-8-methoxy-6-methyl-5-nitroquinoline
CID 11738035
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
8-methoxy-4,6-dimethylquinoline
CID 58053088
3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene
CID 160582326
6,8-dimethoxy-4-methylbenzo[h]quinoline
CID 11807182
6,7-dimethoxy-8-nitroquinoline
CID 616387
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
3,6-dimethoxy-2-nitro-4-phenyldiazenylaniline
CID 88767483
1-(3-fluoro-4-methoxyphenyl)-4-(4-methyl-3-nitro-2-pyridinyl)piperazine
CID 133348240
8-methoxy-3-methyl-5-nitroquinolin-2-amine
CID 63231551
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-8-nitroquinolin-7-amine?
The IUPAC name of 6-methoxy-4-methyl-8-nitroquinolin-7-amine (CID 593976) is 6-methoxy-4-methyl-8-nitroquinolin-7-amine.
What is the SMILES notation for 6-methoxy-4-methyl-8-nitroquinolin-7-amine?
The canonical SMILES for 6-methoxy-4-methyl-8-nitroquinolin-7-amine is COc1cc2c(C)ccnc2c([N+](=O)[O-])c1N.
What is the InChIKey of 6-methoxy-4-methyl-8-nitroquinolin-7-amine?
The InChIKey is AYVQSKGHGXBUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-3-4-13-10-7(6)5-8(17-2)9(12)11(10)14(15)16/h3-5H,12H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-8-nitroquinolin-7-amine?
6-methoxy-4-methyl-8-nitroquinolin-7-amine has a molecular weight of 233.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-8-nitroquinolin-7-amine is sourced from PubChem (CID 593976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).