5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide

C15H16FN3O — CID 155408445

IUPAC5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)c2c1cc(F)c1c(OC)cccc21
InChIInChI=1S/C15H16FN3O/c1-8-7-19(15(17)18)11-6-10(16)14-9(13(8)11)4-3-5-12(14)20-2/h3-6,8H,7H2,1-2H3,(H3,17,18)
InChIKeyNSCUHSQCOZJPRZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.80
Rot. Bonds1

About 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide

5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide (PubChem CID 155408445) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
PubChem CID155408445
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)c2c1cc(F)c1c(OC)cccc21
InChIInChI=1S/C15H16FN3O/c1-8-7-19(15(17)18)11-6-10(16)14-9(13(8)11)4-3-5-12(14)20-2/h3-6,8H,7H2,1-2H3,(H3,17,18)
InChIKeyNSCUHSQCOZJPRZ-UHFFFAOYSA-N
XLogP2.80
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The IUPAC name of 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide (CID 155408445) is 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide.
What is the SMILES notation for 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The canonical SMILES for 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide is [H]/N=C(\N)N1CC(C)c2c1cc(F)c1c(OC)cccc21.
What is the InChIKey of 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The InChIKey is NSCUHSQCOZJPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-8-7-19(15(17)18)11-6-10(16)14-9(13(8)11)4-3-5-12(14)20-2/h3-6,8H,7H2,1-2H3,(H3,17,18).
What are the key properties of 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide has a molecular weight of 273.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide is sourced from PubChem (CID 155408445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).