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

C26H24N4O2 — CID 69190356

IUPAC3-[2-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)-methylamino]ethyl]-1H-indol-5-ol
SMILESCOc1ccc2cc(N(C)CCc3c[nH]c4ccc(O)cc34)c(-c3ccncc3)nc2c1
InChIInChI=1S/C26H24N4O2/c1-30(12-9-19-16-28-23-6-4-20(31)14-22(19)23)25-13-18-3-5-21(32-2)15-24(18)29-26(25)17-7-10-27-11-8-17/h3-8,10-11,13-16,28,31H,9,12H2,1-2H3
InChIKeyFIDHTTLYDIXSFG-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.17
Rot. Bonds6

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 69190356) 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 CID69190356
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(N(C)CCc3c[nH]c4ccc(O)cc34)c(-c3ccncc3)nc2c1
InChIInChI=1S/C26H24N4O2/c1-30(12-9-19-16-28-23-6-4-20(31)14-22(19)23)25-13-18-3-5-21(32-2)15-24(18)29-26(25)17-7-10-27-11-8-17/h3-8,10-11,13-16,28,31H,9,12H2,1-2H3
InChIKeyFIDHTTLYDIXSFG-UHFFFAOYSA-N
XLogP5.17
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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 69190356) 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(N(C)CCc3c[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 FIDHTTLYDIXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30(12-9-19-16-28-23-6-4-20(31)14-22(19)23)25-13-18-3-5-21(32-2)15-24(18)29-26(25)17-7-10-27-11-8-17/h3-8,10-11,13-16,28,31H,9,12H2,1-2H3.
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 5.17, 6 rotatable bonds, 2 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 69190356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).