7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol

C20H15N3O4 — CID 4095109

IUPAC7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol
SMILESO=[N+]([O-])c1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C20H15N3O4/c24-20-16(9-8-13-4-2-10-21-18(13)20)19(17-7-3-11-27-17)22-14-5-1-6-15(12-14)23(25)26/h1-12,19,22,24H
InChIKeySPIWEAUKAPVJBW-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.64
Rot. Bonds5

About 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol

7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol (PubChem CID 4095109) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol
PubChem CID4095109
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol
SMILESO=[N+]([O-])c1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C20H15N3O4/c24-20-16(9-8-13-4-2-10-21-18(13)20)19(17-7-3-11-27-17)22-14-5-1-6-15(12-14)23(25)26/h1-12,19,22,24H
InChIKeySPIWEAUKAPVJBW-UHFFFAOYSA-N
XLogP4.64
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol?
The IUPAC name of 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol (CID 4095109) is 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol is O=[N+]([O-])c1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol?
The InChIKey is SPIWEAUKAPVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-20-16(9-8-13-4-2-10-21-18(13)20)19(17-7-3-11-27-17)22-14-5-1-6-15(12-14)23(25)26/h1-12,19,22,24H.
What are the key properties of 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol?
7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol has a molecular weight of 361.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl-(3-nitroanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 4095109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).