7-iodo-3-methylbenzo[h]quinoline

C14H10IN — CID 142438987

IUPAC7-iodo-3-methylbenzo[h]quinoline
SMILESCc1cnc2c(ccc3c(I)cccc32)c1
InChIInChI=1S/C14H10IN/c1-9-7-10-5-6-11-12(14(10)16-8-9)3-2-4-13(11)15/h2-8H,1H3
InChIKeySYYRMSAYGPJTDL-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.30
Rot. Bonds

About 7-iodo-3-methylbenzo[h]quinoline

7-iodo-3-methylbenzo[h]quinoline (PubChem CID 142438987) has the molecular formula C14H10IN and a molecular weight of 319.15 g/mol. Its IUPAC name is 7-iodo-3-methylbenzo[h]quinoline.

Molecular Properties

Compound Name7-iodo-3-methylbenzo[h]quinoline
PubChem CID142438987
Molecular FormulaC14H10IN
Molecular Weight319.15 g/mol
Exact Mass318.99
IUPAC Name7-iodo-3-methylbenzo[h]quinoline
SMILESCc1cnc2c(ccc3c(I)cccc32)c1
InChIInChI=1S/C14H10IN/c1-9-7-10-5-6-11-12(14(10)16-8-9)3-2-4-13(11)15/h2-8H,1H3
InChIKeySYYRMSAYGPJTDL-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,8-dimethyl-1,10-phenanthroline
CID 159392628
ethane;3-methylquinolin-8-ol
CID 143422090
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
CID 175546630
3-methyl-8-methylsulfanylquinoline
CID 119092882
3-methylfluoranthene;3-methyl-1,7-phenanthroline
CID 175072403
3,8-dimethyl-1,7-naphthyridine;ethane
CID 142388787
2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;methane
CID 160893139
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide
CID 158614986
3,6,8-trimethylquinoline
CID 15109946
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
CID 170258496
2-iodo-11-methylphenanthro[9,10-b]pyridine
CID 166789626

Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-methylbenzo[h]quinoline?
The IUPAC name of 7-iodo-3-methylbenzo[h]quinoline (CID 142438987) is 7-iodo-3-methylbenzo[h]quinoline.
What is the SMILES notation for 7-iodo-3-methylbenzo[h]quinoline?
The canonical SMILES for 7-iodo-3-methylbenzo[h]quinoline is Cc1cnc2c(ccc3c(I)cccc32)c1.
What is the InChIKey of 7-iodo-3-methylbenzo[h]quinoline?
The InChIKey is SYYRMSAYGPJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN/c1-9-7-10-5-6-11-12(14(10)16-8-9)3-2-4-13(11)15/h2-8H,1H3.
What are the key properties of 7-iodo-3-methylbenzo[h]quinoline?
7-iodo-3-methylbenzo[h]quinoline has a molecular weight of 319.15 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-methylbenzo[h]quinoline is sourced from PubChem (CID 142438987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).