8-methoxy-3-methyl-5-nitroquinolin-2-amine

C11H11N3O3 — CID 63231551

IUPAC8-methoxy-3-methyl-5-nitroquinolin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c2cc(C)c(N)nc12
InChIInChI=1S/C11H11N3O3/c1-6-5-7-8(14(15)16)3-4-9(17-2)10(7)13-11(6)12/h3-5H,1-2H3,(H2,12,13)
InChIKeyZJGALVLHNZPNLB-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.04
Rot. Bonds2

About 8-methoxy-3-methyl-5-nitroquinolin-2-amine

8-methoxy-3-methyl-5-nitroquinolin-2-amine (PubChem CID 63231551) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 8-methoxy-3-methyl-5-nitroquinolin-2-amine.

Molecular Properties

Compound Name8-methoxy-3-methyl-5-nitroquinolin-2-amine
PubChem CID63231551
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name8-methoxy-3-methyl-5-nitroquinolin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c2cc(C)c(N)nc12
InChIInChI=1S/C11H11N3O3/c1-6-5-7-8(14(15)16)3-4-9(17-2)10(7)13-11(6)12/h3-5H,1-2H3,(H2,12,13)
InChIKeyZJGALVLHNZPNLB-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-8-methoxy-5-nitroquinolin-2-amine
CID 63382358
CID 157299402
CID 157299402
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
2,4-dimethoxy-5-methyl-8-nitroquinoline
CID 70164477
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline
CID 10784308
6,7-dimethoxy-4-nitro-1,3-benzothiazol-2-amine
CID 96710251
6-methoxy-4-methyl-8-nitroquinolin-7-amine
CID 593976
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-5-nitroquinolin-2-amine?
The IUPAC name of 8-methoxy-3-methyl-5-nitroquinolin-2-amine (CID 63231551) is 8-methoxy-3-methyl-5-nitroquinolin-2-amine.
What is the SMILES notation for 8-methoxy-3-methyl-5-nitroquinolin-2-amine?
The canonical SMILES for 8-methoxy-3-methyl-5-nitroquinolin-2-amine is COc1ccc([N+](=O)[O-])c2cc(C)c(N)nc12.
What is the InChIKey of 8-methoxy-3-methyl-5-nitroquinolin-2-amine?
The InChIKey is ZJGALVLHNZPNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-5-7-8(14(15)16)3-4-9(17-2)10(7)13-11(6)12/h3-5H,1-2H3,(H2,12,13).
What are the key properties of 8-methoxy-3-methyl-5-nitroquinolin-2-amine?
8-methoxy-3-methyl-5-nitroquinolin-2-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 8-methoxy-3-methyl-5-nitroquinolin-2-amine is sourced from PubChem (CID 63231551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).