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

C24H22N4O — CID 24988966

IUPAC5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
SMILESCc1ccc(CNc2ccc3c(NCc4cccc5[nH]ccc45)cccc3n2)o1
InChIInChI=1S/C24H22N4O/c1-16-8-9-18(29-16)15-27-24-11-10-20-22(6-3-7-23(20)28-24)26-14-17-4-2-5-21-19(17)12-13-25-21/h2-13,25-26H,14-15H2,1H3,(H,27,28)
InChIKeyPQQSZXOIAKOTNK-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.84
Rot. Bonds6

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

5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine (PubChem CID 24988966) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine.

Molecular Properties

Compound Name5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
PubChem CID24988966
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
SMILESCc1ccc(CNc2ccc3c(NCc4cccc5[nH]ccc45)cccc3n2)o1
InChIInChI=1S/C24H22N4O/c1-16-8-9-18(29-16)15-27-24-11-10-20-22(6-3-7-23(20)28-24)26-14-17-4-2-5-21-19(17)12-13-25-21/h2-13,25-26H,14-15H2,1H3,(H,27,28)
InChIKeyPQQSZXOIAKOTNK-UHFFFAOYSA-N
XLogP5.84
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
The IUPAC name of 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine (CID 24988966) is 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine.
What is the SMILES notation for 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
The canonical SMILES for 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine is Cc1ccc(CNc2ccc3c(NCc4cccc5[nH]ccc45)cccc3n2)o1.
What is the InChIKey of 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
The InChIKey is PQQSZXOIAKOTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-8-9-18(29-16)15-27-24-11-10-20-22(6-3-7-23(20)28-24)26-14-17-4-2-5-21-19(17)12-13-25-21/h2-13,25-26H,14-15H2,1H3,(H,27,28).
What are the key properties of 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine?
5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine has a molecular weight of 382.47 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine is sourced from PubChem (CID 24988966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).