7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol

C22H20N2O3 — CID 19232894

IUPAC7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(NC(c2ccco2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C22H20N2O3/c1-14-5-6-15-7-12-18(22(25)20(15)23-14)21(19-4-3-13-27-19)24-16-8-10-17(26-2)11-9-16/h3-13,21,24-25H,1-2H3
InChIKeyFRJKSJWXUPQNRG-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.05
Rot. Bonds5

About 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol

7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol (PubChem CID 19232894) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
PubChem CID19232894
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
SMILESCOc1ccc(NC(c2ccco2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C22H20N2O3/c1-14-5-6-15-7-12-18(22(25)20(15)23-14)21(19-4-3-13-27-19)24-16-8-10-17(26-2)11-9-16/h3-13,21,24-25H,1-2H3
InChIKeyFRJKSJWXUPQNRG-UHFFFAOYSA-N
XLogP5.05
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.05
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'}

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Related Compounds

methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
CID 19232966
7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233031
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 19233215
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 19233213
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-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol (CID 19232894) is 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol is COc1ccc(NC(c2ccco2)c2ccc3ccc(C)nc3c2O)cc1.
What is the InChIKey of 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol?
The InChIKey is FRJKSJWXUPQNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-5-6-15-7-12-18(22(25)20(15)23-14)21(19-4-3-13-27-19)24-16-8-10-17(26-2)11-9-16/h3-13,21,24-25H,1-2H3.
What are the key properties of 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol?
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol has a molecular weight of 360.41 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 19232894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).