5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine

C24H18FN3O — CID 24991557

IUPAC5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine
SMILESCc1cc2cccc(Nc3ccc4c(Nc5ccc(F)cc5)cccc4n3)c2o1
InChIInChI=1S/C24H18FN3O/c1-15-14-16-4-2-7-22(24(16)29-15)28-23-13-12-19-20(5-3-6-21(19)27-23)26-18-10-8-17(25)9-11-18/h2-14,26H,1H3,(H,27,28)
InChIKeyMFSVPCNBKLPEMN-UHFFFAOYSA-N
MW383.43 g/mol
LogP6.92
Rot. Bonds4

About 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine

5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine (PubChem CID 24991557) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine
PubChem CID24991557
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine
SMILESCc1cc2cccc(Nc3ccc4c(Nc5ccc(F)cc5)cccc4n3)c2o1
InChIInChI=1S/C24H18FN3O/c1-15-14-16-4-2-7-22(24(16)29-15)28-23-13-12-19-20(5-3-6-21(19)27-23)26-18-10-8-17(25)9-11-18/h2-14,26H,1H3,(H,27,28)
InChIKeyMFSVPCNBKLPEMN-UHFFFAOYSA-N
XLogP6.92
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine (CID 24991557) is 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine is Cc1cc2cccc(Nc3ccc4c(Nc5ccc(F)cc5)cccc4n3)c2o1.
What is the InChIKey of 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine?
The InChIKey is MFSVPCNBKLPEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-15-14-16-4-2-7-22(24(16)29-15)28-23-13-12-19-20(5-3-6-21(19)27-23)26-18-10-8-17(25)9-11-18/h2-14,26H,1H3,(H,27,28).
What are the key properties of 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine?
5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine has a molecular weight of 383.43 g/mol, XLogP of 6.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine is sourced from PubChem (CID 24991557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).