1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol

C29H19NO2 — CID 136763100

IUPAC1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cc2ccccc2c(-c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C29H19NO2/c31-25-15-13-18-7-1-4-10-21(18)27(25)24-17-20-9-3-6-12-23(20)29(30-24)28-22-11-5-2-8-19(22)14-16-26(28)32/h1-17,31-32H
InChIKeyRYQICIBYOJSWDD-UHFFFAOYSA-N
MW413.48 g/mol
LogP7.29
Rot. Bonds2

About 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol

1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol (PubChem CID 136763100) has the molecular formula C29H19NO2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol
PubChem CID136763100
Molecular FormulaC29H19NO2
Molecular Weight413.48 g/mol
Exact Mass413.14
IUPAC Name1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cc2ccccc2c(-c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C29H19NO2/c31-25-15-13-18-7-1-4-10-21(18)27(25)24-17-20-9-3-6-12-23(20)29(30-24)28-22-11-5-2-8-19(22)14-16-26(28)32/h1-17,31-32H
InChIKeyRYQICIBYOJSWDD-UHFFFAOYSA-N
XLogP7.29
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
Quininib
CID 135411330
4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol
CID 1235256
3-[(E)-2-quinolin-2-ylethenyl]phenol
CID 6223893
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
2-(3-Fluoro-4-hydroxy-phenyl)-4-phenyl-quinolin-6-ol
CID 135454811
2-(Azepan-1-ylmethyl)-4-(2-methylquinolin-4-yl)phenol
CID 135971344
4-[2,6-Bis(4-hydroxyphenyl)-4-pyridinyl]phenol
CID 136236482

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol (CID 136763100) is 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1cc2ccccc2c(-c2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol?
The InChIKey is RYQICIBYOJSWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NO2/c31-25-15-13-18-7-1-4-10-21(18)27(25)24-17-20-9-3-6-12-23(20)29(30-24)28-22-11-5-2-8-19(22)14-16-26(28)32/h1-17,31-32H.
What are the key properties of 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol?
1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol has a molecular weight of 413.48 g/mol, XLogP of 7.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 136763100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).