2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol

C17H16N2O2 — CID 91205199

IUPAC2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1cccc3ncccc13)CCCC2
InChIInChI=1S/C17H16N2O2/c20-16-11-5-1-2-6-12(11)17(21)19(16)15-9-3-8-14-13(15)7-4-10-18-14/h3-4,7-10,20-21H,1-2,5-6H2
InChIKeyODNVTARYVXVTFU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds1

About 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol

2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 91205199) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID91205199
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1cccc3ncccc13)CCCC2
InChIInChI=1S/C17H16N2O2/c20-16-11-5-1-2-6-12(11)17(21)19(16)15-9-3-8-14-13(15)7-4-10-18-14/h3-4,7-10,20-21H,1-2,5-6H2
InChIKeyODNVTARYVXVTFU-UHFFFAOYSA-N
XLogP3.32
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol
CID 11701565
11-methyl-6,11-dihydro-5H-pyrido[3,2-a]carbazol-8-ol
CID 15604542
3-Methyl-4-(4-methyl-2,3-dihydro-pyrrolo[3,2-c]quinolin-1-yl)-phenol
CID 44366651
3-(Z)-{1-[4-(piperidin-1-yl-methyl)-anilino]-1-phenyl-methylidene}-6-(pyrrol-1-yl)-2-indolinone
CID 135929170
3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135932346
3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135985512
3-[(E)-[3-[(E)-2-pyridin-2-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988957
3-[(E)-(3-pyridin-3-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135989019
4-[(E)-2-(2-hydroxyphenyl)vinyl]-1-methylquinolinium
CID 16194418
11-methyl-6,11-dihydro-5H-pyrido[4,3-a]carbazol-8-ol
CID 44412031
3-[3-[(7-Chloroquinolin-4-yl)amino]propyliminomethyl]-1-methylindol-2-ol
CID 136030622
[1-(Hydroxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methanol
CID 162644281

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 91205199) is 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1cccc3ncccc13)CCCC2.
What is the InChIKey of 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is ODNVTARYVXVTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-11-5-1-2-6-12(11)17(21)19(16)15-9-3-8-14-13(15)7-4-10-18-14/h3-4,7-10,20-21H,1-2,5-6H2.
What are the key properties of 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 280.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-yl-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 91205199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).