4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol

C26H26N2O4 — CID 135993739

IUPAC4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol
SMILESCCOc1ccc2c(Cc3cc(OC)c(Nc4ccccc4)c(OC)c3)cncc2c1O
InChIInChI=1S/C26H26N2O4/c1-4-32-22-11-10-20-18(15-27-16-21(20)26(22)29)12-17-13-23(30-2)25(24(14-17)31-3)28-19-8-6-5-7-9-19/h5-11,13-16,28-29H,4,12H2,1-3H3
InChIKeyKVODFSYRASAUOZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.69
Rot. Bonds8

About 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol

4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol (PubChem CID 135993739) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol.

Molecular Properties

Compound Name4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol
PubChem CID135993739
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol
SMILESCCOc1ccc2c(Cc3cc(OC)c(Nc4ccccc4)c(OC)c3)cncc2c1O
InChIInChI=1S/C26H26N2O4/c1-4-32-22-11-10-20-18(15-27-16-21(20)26(22)29)12-17-13-23(30-2)25(24(14-17)31-3)28-19-8-6-5-7-9-19/h5-11,13-16,28-29H,4,12H2,1-3H3
InChIKeyKVODFSYRASAUOZ-UHFFFAOYSA-N
XLogP5.69
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-amino-4-ethoxy-5-methoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;methane
CID 161062966
4-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;hydrochloride
CID 135993762
4-[[3,4-dimethoxy-5-(2-methylpropoxy)phenyl]methyl]-7-ethoxyisoquinolin-8-ol
CID 135993788
7-ethoxy-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]isoquinolin-8-ol
CID 135993701
4-[[3,4-dimethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methyl]-7-ethoxyisoquinolin-8-ol;dihydrochloride
CID 135993789
4-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol;hydrochloride
CID 135993811
4-[(2-hydroxyphenyl)methyl]-7-methoxyisoquinolin-8-ol;hydrochloride
CID 135482744
4-[(3,5-dimethoxy-4-propoxyphenyl)methyl]-7-ethoxyisoquinoline-8-thiol
CID 137161499
tert-butyl N-[[7-ethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-8-yl]sulfamoyl]carbamate
CID 86685185
(2S)-2-amino-N-[7-ethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-8-yl]-3-hydroxypropanamide
CID 54760906
O-[4-[(3,5-dimethoxy-4-propoxyphenyl)methyl]-7-ethoxyisoquinolin-8-yl] N,N-dimethylcarbamothioate;hydrochloride
CID 54761266
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983

Frequently Asked Questions

What is the IUPAC name of 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol?
The IUPAC name of 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol (CID 135993739) is 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol.
What is the SMILES notation for 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol?
The canonical SMILES for 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol is CCOc1ccc2c(Cc3cc(OC)c(Nc4ccccc4)c(OC)c3)cncc2c1O.
What is the InChIKey of 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol?
The InChIKey is KVODFSYRASAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-4-32-22-11-10-20-18(15-27-16-21(20)26(22)29)12-17-13-23(30-2)25(24(14-17)31-3)28-19-8-6-5-7-9-19/h5-11,13-16,28-29H,4,12H2,1-3H3.
What are the key properties of 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol?
4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol has a molecular weight of 430.50 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilino-3,5-dimethoxyphenyl)methyl]-7-ethoxyisoquinolin-8-ol is sourced from PubChem (CID 135993739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).