1-(3-iodophenyl)-4-methylisoquinoline

C16H12IN — CID 142439062

IUPAC1-(3-iodophenyl)-4-methylisoquinoline
SMILESCc1cnc(-c2cccc(I)c2)c2ccccc12
InChIInChI=1S/C16H12IN/c1-11-10-18-16(12-5-4-6-13(17)9-12)15-8-3-2-7-14(11)15/h2-10H,1H3
InChIKeyIAVZSGFGJUUSFW-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.81
Rot. Bonds1

About 1-(3-iodophenyl)-4-methylisoquinoline

1-(3-iodophenyl)-4-methylisoquinoline (PubChem CID 142439062) has the molecular formula C16H12IN and a molecular weight of 345.18 g/mol. Its IUPAC name is 1-(3-iodophenyl)-4-methylisoquinoline.

Molecular Properties

Compound Name1-(3-iodophenyl)-4-methylisoquinoline
PubChem CID142439062
Molecular FormulaC16H12IN
Molecular Weight345.18 g/mol
Exact Mass345.00
IUPAC Name1-(3-iodophenyl)-4-methylisoquinoline
SMILESCc1cnc(-c2cccc(I)c2)c2ccccc12
InChIInChI=1S/C16H12IN/c1-11-10-18-16(12-5-4-6-13(17)9-12)15-8-3-2-7-14(11)15/h2-10H,1H3
InChIKeyIAVZSGFGJUUSFW-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-4-methylisoquinoline
CID 58892475
1-chloro-4-methylisoquinoline;4-methyl-1-(3-methylphenyl)isoquinoline;(3-methylphenyl)boronic acid
CID 158175707
2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 67350132
3,5-bis(3-iodophenyl)-4-phenyl-1,2,4-triazole
CID 153407189
4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
CID 135215553
1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
CID 12670522
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
3-fluoro-5-iodo-2-phenylpyridine
CID 46314835
1-iodo-3-(2-methylphenyl)benzene;propanoic acid
CID 69038282
1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
CID 70994486
1-iodo-2-[3-(3-iodophenyl)phenyl]benzene
CID 139304916
2-(3-iodophenyl)benzenethiol
CID 141498433

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-4-methylisoquinoline?
The IUPAC name of 1-(3-iodophenyl)-4-methylisoquinoline (CID 142439062) is 1-(3-iodophenyl)-4-methylisoquinoline.
What is the SMILES notation for 1-(3-iodophenyl)-4-methylisoquinoline?
The canonical SMILES for 1-(3-iodophenyl)-4-methylisoquinoline is Cc1cnc(-c2cccc(I)c2)c2ccccc12.
What is the InChIKey of 1-(3-iodophenyl)-4-methylisoquinoline?
The InChIKey is IAVZSGFGJUUSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN/c1-11-10-18-16(12-5-4-6-13(17)9-12)15-8-3-2-7-14(11)15/h2-10H,1H3.
What are the key properties of 1-(3-iodophenyl)-4-methylisoquinoline?
1-(3-iodophenyl)-4-methylisoquinoline has a molecular weight of 345.18 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-4-methylisoquinoline is sourced from PubChem (CID 142439062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).