4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one

C19H26N2O5 — CID 23300561

IUPAC4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(OC)c2ccc([N+](=O)[O-])cc2n(C)c1=O
InChIInChI=1S/C19H26N2O5/c1-4-5-6-7-8-9-12-26-18-17(25-3)15-11-10-14(21(23)24)13-16(15)20(2)19(18)22/h10-11,13H,4-9,12H2,1-3H3
InChIKeyAJFLADCUMWNADE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.19
Rot. Bonds10

About 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one

4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one (PubChem CID 23300561) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one
PubChem CID23300561
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(OC)c2ccc([N+](=O)[O-])cc2n(C)c1=O
InChIInChI=1S/C19H26N2O5/c1-4-5-6-7-8-9-12-26-18-17(25-3)15-11-10-14(21(23)24)13-16(15)20(2)19(18)22/h10-11,13H,4-9,12H2,1-3H3
InChIKeyAJFLADCUMWNADE-UHFFFAOYSA-N
XLogP4.19
TPSA83.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one 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

4-hexoxy-1-methyl-7-nitro-3-prop-2-enoxyquinolin-2-one
CID 23300603
4-hexoxy-3-methoxy-7-nitro-1-octylquinolin-2-one
CID 23300246
4-hexoxy-7-nitro-3-octoxy-1-octylquinolin-2-one
CID 23300429
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one
CID 23300226
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425
7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684
3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one
CID 23300518
3-hexoxy-7-nitro-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70251846
4-butoxy-3-(3,7-dimethylocta-2,6-dienoxy)-1-methyl-7-nitroquinolin-2-one
CID 54204694
4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718194

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one (CID 23300561) is 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one is CCCCCCCCOc1c(OC)c2ccc([N+](=O)[O-])cc2n(C)c1=O.
What is the InChIKey of 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one?
The InChIKey is AJFLADCUMWNADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-5-6-7-8-9-12-26-18-17(25-3)15-11-10-14(21(23)24)13-16(15)20(2)19(18)22/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one?
4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one has a molecular weight of 362.43 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one is sourced from PubChem (CID 23300561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).