1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol

C19H14INO — CID 135879577

IUPAC1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol
SMILESOc1c(I)cc2ccccc2c1C1=NCCc2ccccc21
InChIInChI=1S/C19H14INO/c20-16-11-13-6-2-3-7-14(13)17(19(16)22)18-15-8-4-1-5-12(15)9-10-21-18/h1-8,11,22H,9-10H2
InChIKeySFYJMMDSQHTANZ-UHFFFAOYSA-N
MW399.23 g/mol
LogP4.54
Rot. Bonds1

About 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol

1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol (PubChem CID 135879577) has the molecular formula C19H14INO and a molecular weight of 399.23 g/mol. Its IUPAC name is 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol
PubChem CID135879577
Molecular FormulaC19H14INO
Molecular Weight399.23 g/mol
Exact Mass399.01
IUPAC Name1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol
SMILESOc1c(I)cc2ccccc2c1C1=NCCc2ccccc21
InChIInChI=1S/C19H14INO/c20-16-11-13-6-2-3-7-14(13)17(19(16)22)18-15-8-4-1-5-12(15)9-10-21-18/h1-8,11,22H,9-10H2
InChIKeySFYJMMDSQHTANZ-UHFFFAOYSA-N
XLogP4.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
CID 171920783
1-(4-chlorophenyl)-3,4-dihydroisoquinoline
CID 14998904
1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline
CID 59536390
1-(2,3-diiodonaphthalen-1-yl)-2,3-diiodonaphthalene
CID 102479738
6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294
3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
CID 135470258
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
CID 141414000
1-pyridin-3-yl-3,4-dihydroisoquinoline
CID 14192081
1-prop-1-en-2-yl-3,4-dihydroisoquinoline
CID 175704614
2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
CID 141220935
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol?
The IUPAC name of 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol (CID 135879577) is 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol.
What is the SMILES notation for 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol?
The canonical SMILES for 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol is Oc1c(I)cc2ccccc2c1C1=NCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol?
The InChIKey is SFYJMMDSQHTANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO/c20-16-11-13-6-2-3-7-14(13)17(19(16)22)18-15-8-4-1-5-12(15)9-10-21-18/h1-8,11,22H,9-10H2.
What are the key properties of 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol?
1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol has a molecular weight of 399.23 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol is sourced from PubChem (CID 135879577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).