2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol

C17H16ClN3O — CID 123236132

IUPAC2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol
SMILESNC1=Nc2ccc(Cl)cc2C1(O)c1cccc2c1CNCC2
InChIInChI=1S/C17H16ClN3O/c18-11-4-5-15-14(8-11)17(22,16(19)21-15)13-3-1-2-10-6-7-20-9-12(10)13/h1-5,8,20,22H,6-7,9H2,(H2,19,21)
InChIKeyAIFMXSASLBKUQE-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.22
Rot. Bonds1

About 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol

2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol (PubChem CID 123236132) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol.

Molecular Properties

Compound Name2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol
PubChem CID123236132
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol
SMILESNC1=Nc2ccc(Cl)cc2C1(O)c1cccc2c1CNCC2
InChIInChI=1S/C17H16ClN3O/c18-11-4-5-15-14(8-11)17(22,16(19)21-15)13-3-1-2-10-6-7-20-9-12(10)13/h1-5,8,20,22H,6-7,9H2,(H2,19,21)
InChIKeyAIFMXSASLBKUQE-UHFFFAOYSA-N
XLogP2.22
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol
CID 123782858
2-amino-5-chloro-3-(5-chloro-1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol
CID 123879953
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol
CID 123157205
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104127
(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609316
(3S)-2-amino-3-phenylindol-3-ol
CID 129405723
7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
CID 10537618
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140
(4-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609424

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol?
The IUPAC name of 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol (CID 123236132) is 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol.
What is the SMILES notation for 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol?
The canonical SMILES for 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol is NC1=Nc2ccc(Cl)cc2C1(O)c1cccc2c1CNCC2.
What is the InChIKey of 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol?
The InChIKey is AIFMXSASLBKUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-11-4-5-15-14(8-11)17(22,16(19)21-15)13-3-1-2-10-6-7-20-9-12(10)13/h1-5,8,20,22H,6-7,9H2,(H2,19,21).
What are the key properties of 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol?
2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol has a molecular weight of 313.79 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol is sourced from PubChem (CID 123236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).