(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline

C16H17IN2 — CID 166091886

IUPAC(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1CC(CI)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C16H17IN2/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-5,8,10,15,18H,6-7,9H2,1H3/t10?,15-/m1/s1
InChIKeyUMDPNFVXELPKFH-GENIYJEYSA-N
MW364.23 g/mol
LogP3.47
Rot. Bonds1

About (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline

(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 166091886) has the molecular formula C16H17IN2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
PubChem CID166091886
Molecular FormulaC16H17IN2
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC Name(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1CC(CI)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C16H17IN2/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-5,8,10,15,18H,6-7,9H2,1H3/t10?,15-/m1/s1
InChIKeyUMDPNFVXELPKFH-GENIYJEYSA-N
XLogP3.47
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline (CID 166091886) is (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline is CN1CC(CI)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is UMDPNFVXELPKFH-GENIYJEYSA-N. The full InChI is InChI=1S/C16H17IN2/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-5,8,10,15,18H,6-7,9H2,1H3/t10?,15-/m1/s1.
What are the key properties of (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline?
(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 364.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 166091886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).