5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol

C26H24N4O2 — CID 45112671

IUPAC5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol
SMILESCn1cccc1CN(Cc1ccc(O)c2ncccc12)Cc1ccc(O)c2ncccc12
InChIInChI=1S/C26H24N4O2/c1-29-14-4-5-20(29)17-30(15-18-8-10-23(31)25-21(18)6-2-12-27-25)16-19-9-11-24(32)26-22(19)7-3-13-28-26/h2-14,31-32H,15-17H2,1H3
InChIKeyMWQQDFCCFLKKIZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.74
Rot. Bonds6

About 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol

5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol (PubChem CID 45112671) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol
PubChem CID45112671
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol
SMILESCn1cccc1CN(Cc1ccc(O)c2ncccc12)Cc1ccc(O)c2ncccc12
InChIInChI=1S/C26H24N4O2/c1-29-14-4-5-20(29)17-30(15-18-8-10-23(31)25-21(18)6-2-12-27-25)16-19-9-11-24(32)26-22(19)7-3-13-28-26/h2-14,31-32H,15-17H2,1H3
InChIKeyMWQQDFCCFLKKIZ-UHFFFAOYSA-N
XLogP4.74
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol (CID 45112671) is 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol is Cn1cccc1CN(Cc1ccc(O)c2ncccc12)Cc1ccc(O)c2ncccc12.
What is the InChIKey of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol?
The InChIKey is MWQQDFCCFLKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-29-14-4-5-20(29)17-30(15-18-8-10-23(31)25-21(18)6-2-12-27-25)16-19-9-11-24(32)26-22(19)7-3-13-28-26/h2-14,31-32H,15-17H2,1H3.
What are the key properties of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol?
5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol has a molecular weight of 424.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8-hydroxyquinolin-5-yl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 45112671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).