7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol

C20H14Cl2N2O2 — CID 4073581

IUPAC7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccc(Cl)cc2Cl)c2ccco2)ccc2cccnc12
InChIInChI=1S/C20H14Cl2N2O2/c21-13-6-8-16(15(22)11-13)24-19(17-4-2-10-26-17)14-7-5-12-3-1-9-23-18(12)20(14)25/h1-11,19,24-25H
InChIKeyOKRWIZKAETVVII-UHFFFAOYSA-N
MW385.25 g/mol
LogP6.04
Rot. Bonds4

About 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol

7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol (PubChem CID 4073581) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
PubChem CID4073581
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC Name7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccc(Cl)cc2Cl)c2ccco2)ccc2cccnc12
InChIInChI=1S/C20H14Cl2N2O2/c21-13-6-8-16(15(22)11-13)24-19(17-4-2-10-26-17)14-7-5-12-3-1-9-23-18(12)20(14)25/h1-11,19,24-25H
InChIKeyOKRWIZKAETVVII-UHFFFAOYSA-N
XLogP6.04
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
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
7-[furan-2-yl-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233031
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
CID 19233159
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol (CID 4073581) is 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol is Oc1c(C(Nc2ccc(Cl)cc2Cl)c2ccco2)ccc2cccnc12.
What is the InChIKey of 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol?
The InChIKey is OKRWIZKAETVVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c21-13-6-8-16(15(22)11-13)24-19(17-4-2-10-26-17)14-7-5-12-3-1-9-23-18(12)20(14)25/h1-11,19,24-25H.
What are the key properties of 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol?
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol has a molecular weight of 385.25 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 4073581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).