5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one

C25H19N3O4 — CID 18887719

IUPAC5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C25H19N3O4/c1-15-8-3-5-12-19(15)26-24-21(16-9-7-10-17(14-16)28(30)31)22-23(32-24)18-11-4-6-13-20(18)27(2)25(22)29/h3-14,26H,1-2H3
InChIKeyOQHCPKRQDDVWDE-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.91
Rot. Bonds4

About 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one

5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one (PubChem CID 18887719) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one
PubChem CID18887719
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C25H19N3O4/c1-15-8-3-5-12-19(15)26-24-21(16-9-7-10-17(14-16)28(30)31)22-23(32-24)18-11-4-6-13-20(18)27(2)25(22)29/h3-14,26H,1-2H3
InChIKeyOQHCPKRQDDVWDE-UHFFFAOYSA-N
XLogP5.91
TPSA90.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-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

3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
CID 18887708
3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
CID 18887715
5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one
CID 18887724
2-anilino-3-(3,4-dichlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887688
2-anilino-3-(4-bromophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887690
3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
CID 18887595
3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
CID 18887867
2-(benzylamino)-5-methyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one
CID 18887779
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
CID 110273333
6,11-dimethyl-8-(3-nitrophenyl)-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 135859945

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one (CID 18887719) is 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one is Cc1ccccc1Nc1oc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c1ccccc21.
What is the InChIKey of 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one?
The InChIKey is OQHCPKRQDDVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-15-8-3-5-12-19(15)26-24-21(16-9-7-10-17(14-16)28(30)31)22-23(32-24)18-11-4-6-13-20(18)27(2)25(22)29/h3-14,26H,1-2H3.
What are the key properties of 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one?
5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one has a molecular weight of 425.44 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).