(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline

C14H15FN2 — CID 67754280

IUPAC(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
SMILESFn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C14H15FN2/c15-17-8-9-7-12-10(4-2-6-16-12)11-3-1-5-13(17)14(9)11/h1,3,5,8,10,12,16H,2,4,6-7H2/t10-,12-/m1/s1
InChIKeyYKCYWPBYRYSQBF-ZYHUDNBSSA-N
MW230.29 g/mol
LogP2.77
Rot. Bonds

About (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline

(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline (PubChem CID 67754280) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
PubChem CID67754280
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
SMILESFn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C14H15FN2/c15-17-8-9-7-12-10(4-2-6-16-12)11-3-1-5-13(17)14(9)11/h1,3,5,8,10,12,16H,2,4,6-7H2/t10-,12-/m1/s1
InChIKeyYKCYWPBYRYSQBF-ZYHUDNBSSA-N
XLogP2.77
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline (CID 67754280) is (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline is Fn1cc2c3c(cccc31)[C@H]1CCCN[C@@H]1C2.
What is the InChIKey of (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline?
The InChIKey is YKCYWPBYRYSQBF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H15FN2/c15-17-8-9-7-12-10(4-2-6-16-12)11-3-1-5-13(17)14(9)11/h1,3,5,8,10,12,16H,2,4,6-7H2/t10-,12-/m1/s1.
What are the key properties of (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline?
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline has a molecular weight of 230.29 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 67754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).