3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol

C26H24N4O2 — CID 59804056

IUPAC3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol
SMILESCOc1ccc2cc(CNCCc3c[nH]c4ccc(O)cc34)c(-c3ccncc3)nc2c1
InChIInChI=1S/C26H24N4O2/c1-32-22-4-2-18-12-20(26(30-25(18)14-22)17-6-9-27-10-7-17)15-28-11-8-19-16-29-24-5-3-21(31)13-23(19)24/h2-7,9-10,12-14,16,28-29,31H,8,11,15H2,1H3
InChIKeyWGUOLGSRHFWAOS-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.82
Rot. Bonds7

About 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol

3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol (PubChem CID 59804056) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol
PubChem CID59804056
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol
SMILESCOc1ccc2cc(CNCCc3c[nH]c4ccc(O)cc34)c(-c3ccncc3)nc2c1
InChIInChI=1S/C26H24N4O2/c1-32-22-4-2-18-12-20(26(30-25(18)14-22)17-6-9-27-10-7-17)15-28-11-8-19-16-29-24-5-3-21(31)13-23(19)24/h2-7,9-10,12-14,16,28-29,31H,8,11,15H2,1H3
InChIKeyWGUOLGSRHFWAOS-UHFFFAOYSA-N
XLogP4.82
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol (CID 59804056) is 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol is COc1ccc2cc(CNCCc3c[nH]c4ccc(O)cc34)c(-c3ccncc3)nc2c1.
What is the InChIKey of 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol?
The InChIKey is WGUOLGSRHFWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-22-4-2-18-12-20(26(30-25(18)14-22)17-6-9-27-10-7-17)15-28-11-8-19-16-29-24-5-3-21(31)13-23(19)24/h2-7,9-10,12-14,16,28-29,31H,8,11,15H2,1H3.
What are the key properties of 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol?
3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol has a molecular weight of 424.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methylamino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 59804056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).