7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol

C21H17ClN2O3 — CID 19233262

IUPAC7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
SMILESCOc1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-26-17-9-7-14(12-16(17)22)24-20(18-5-3-11-27-18)15-8-6-13-4-2-10-23-19(13)21(15)25/h2-12,20,24-25H,1H3
InChIKeyRWPIQZLFVCUVCR-UHFFFAOYSA-N
MW380.83 g/mol
LogP5.40
Rot. Bonds5

About 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol

7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol (PubChem CID 19233262) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
PubChem CID19233262
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
SMILESCOc1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-26-17-9-7-14(12-16(17)22)24-20(18-5-3-11-27-18)15-8-6-13-4-2-10-23-19(13)21(15)25/h2-12,20,24-25H,1H3
InChIKeyRWPIQZLFVCUVCR-UHFFFAOYSA-N
XLogP5.40
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)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

Related Compounds

7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038
4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
CID 19233159
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894
2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233094
7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
CID 131971975
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
CID 67987497
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol (CID 19233262) is 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol is COc1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1Cl.
What is the InChIKey of 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol?
The InChIKey is RWPIQZLFVCUVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-26-17-9-7-14(12-16(17)22)24-20(18-5-3-11-27-18)15-8-6-13-4-2-10-23-19(13)21(15)25/h2-12,20,24-25H,1H3.
What are the key properties of 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol?
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol has a molecular weight of 380.83 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 19233262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).