5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine

C23H19FN4O — CID 24990477

IUPAC5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
SMILESCc1ccc(CNc2ccc3c(Nc4ccc(F)c5[nH]ccc45)cccc3n2)o1
InChIInChI=1S/C23H19FN4O/c1-14-5-6-15(29-14)13-26-22-10-7-16-19(3-2-4-20(16)28-22)27-21-9-8-18(24)23-17(21)11-12-25-23/h2-12,25,27H,13H2,1H3,(H,26,28)
InChIKeyLOPBCLIZVJQMQM-UHFFFAOYSA-N
MW386.43 g/mol
LogP6.11
Rot. Bonds5

About 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine

5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine (PubChem CID 24990477) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine.

Molecular Properties

Compound Name5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
PubChem CID24990477
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
SMILESCc1ccc(CNc2ccc3c(Nc4ccc(F)c5[nH]ccc45)cccc3n2)o1
InChIInChI=1S/C23H19FN4O/c1-14-5-6-15(29-14)13-26-22-10-7-16-19(3-2-4-20(16)28-22)27-21-9-8-18(24)23-17(21)11-12-25-23/h2-12,25,27H,13H2,1H3,(H,26,28)
InChIKeyLOPBCLIZVJQMQM-UHFFFAOYSA-N
XLogP6.11
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
The IUPAC name of 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine (CID 24990477) is 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine.
What is the SMILES notation for 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
The canonical SMILES for 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine is Cc1ccc(CNc2ccc3c(Nc4ccc(F)c5[nH]ccc45)cccc3n2)o1.
What is the InChIKey of 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
The InChIKey is LOPBCLIZVJQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-5-6-15(29-14)13-26-22-10-7-16-19(3-2-4-20(16)28-22)27-21-9-8-18(24)23-17(21)11-12-25-23/h2-12,25,27H,13H2,1H3,(H,26,28).
What are the key properties of 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine has a molecular weight of 386.43 g/mol, XLogP of 6.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(7-fluoro-1H-indol-4-yl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine is sourced from PubChem (CID 24990477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).