benzo[f]quinoline;iodomethane

C14H12IN — CID 21121996

IUPACbenzo[f]quinoline;iodomethane
SMILESCI.c1ccc2c(c1)ccc1ncccc12
InChIInChI=1S/C13H9N.CH3I/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;1-2/h1-9H;1H3
InChIKeyRKSRKVFAONUELA-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.44
Rot. Bonds

About benzo[f]quinoline;iodomethane

benzo[f]quinoline;iodomethane (PubChem CID 21121996) has the molecular formula C14H12IN and a molecular weight of 321.16 g/mol. Its IUPAC name is benzo[f]quinoline;iodomethane.

Molecular Properties

Compound Namebenzo[f]quinoline;iodomethane
PubChem CID21121996
Molecular FormulaC14H12IN
Molecular Weight321.16 g/mol
Exact Mass321.00
IUPAC Namebenzo[f]quinoline;iodomethane
SMILESCI.c1ccc2c(c1)ccc1ncccc12
InChIInChI=1S/C13H9N.CH3I/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;1-2/h1-9H;1H3
InChIKeyRKSRKVFAONUELA-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanol;1,7-phenanthroline
CID 174496893
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
2,7-phenanthroline;1,4-xylene
CID 67025193
iodomethane;4-methylquinoline
CID 161278358
CID 159709187
CID 159709187
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
2-methyl-3,7-phenanthroline
CID 129060966
8,25-diazaheptacyclo[16.12.0.02,15.04,13.07,12.020,29.021,26]triaconta-1(18),2(15),3,5,7(12),8,10,13,19,21(26),22,24,27,29-tetradecaene
CID 170710818
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinoline;iodomethane?
The IUPAC name of benzo[f]quinoline;iodomethane (CID 21121996) is benzo[f]quinoline;iodomethane.
What is the SMILES notation for benzo[f]quinoline;iodomethane?
The canonical SMILES for benzo[f]quinoline;iodomethane is CI.c1ccc2c(c1)ccc1ncccc12.
What is the InChIKey of benzo[f]quinoline;iodomethane?
The InChIKey is RKSRKVFAONUELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.CH3I/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;1-2/h1-9H;1H3.
What are the key properties of benzo[f]quinoline;iodomethane?
benzo[f]quinoline;iodomethane has a molecular weight of 321.16 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinoline;iodomethane is sourced from PubChem (CID 21121996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).