FQTIRZGRPVLRMG-SPYBWZPUSA-N

Name: FQTIRZGRPVLRMG-SPYBWZPUSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₃N₃S — CID 14107799

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(5aS,6aR,9R)-7-methyl-9-(pyridin-2-ylsulfanylmethyl)-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline

SMILESCN1C[C@H](CSc2ccccn2)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21

InChIInChI=1S/C21H23N3S/c1-24-12-14(13-25-20-7-2-3-8-22-20)9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24/h2-9,14-15,19,23H,10-13H2,1H3/t14-,15-,19-/m1/s1

InChIKeyFQTIRZGRPVLRMG-SPYBWZPUSA-N

MW349.50 g/mol

LogP4.10

Rot. Bonds3

About FQTIRZGRPVLRMG-SPYBWZPUSA-N

FQTIRZGRPVLRMG-SPYBWZPUSA-N (PubChem CID 14107799) has the molecular formula C₂₁H₂₃N₃S and a molecular weight of 349.50 g/mol. Its IUPAC name is (5aS,6aR,9R)-7-methyl-9-(pyridin-2-ylsulfanylmethyl)-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name	FQTIRZGRPVLRMG-SPYBWZPUSA-N
PubChem CID	14107799
Molecular Formula	C₂₁H₂₃N₃S
Molecular Weight	349.50 g/mol
Exact Mass	349.16
IUPAC Name	(5aS,6aR,9R)-7-methyl-9-(pyridin-2-ylsulfanylmethyl)-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
SMILES	CN1C[C@H](CSc2ccccn2)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21
InChI	InChI=1S/C21H23N3S/c1-24-12-14(13-25-20-7-2-3-8-22-20)9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24/h2-9,14-15,19,23H,10-13H2,1H3/t14-,15-,19-/m1/s1
InChIKey	FQTIRZGRPVLRMG-SPYBWZPUSA-N
XLogP	4.10
TPSA	28.16 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of FQTIRZGRPVLRMG-SPYBWZPUSA-N?

The IUPAC name of FQTIRZGRPVLRMG-SPYBWZPUSA-N (CID 14107799) is (5aS,6aR,9R)-7-methyl-9-(pyridin-2-ylsulfanylmethyl)-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline.

What is the SMILES notation for FQTIRZGRPVLRMG-SPYBWZPUSA-N?

The canonical SMILES for FQTIRZGRPVLRMG-SPYBWZPUSA-N is CN1C[C@H](CSc2ccccn2)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21.

What is the InChIKey of FQTIRZGRPVLRMG-SPYBWZPUSA-N?

The InChIKey is FQTIRZGRPVLRMG-SPYBWZPUSA-N. The full InChI is InChI=1S/C21H23N3S/c1-24-12-14(13-25-20-7-2-3-8-22-20)9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24/h2-9,14-15,19,23H,10-13H2,1H3/t14-,15-,19-/m1/s1.

What are the key properties of FQTIRZGRPVLRMG-SPYBWZPUSA-N?

FQTIRZGRPVLRMG-SPYBWZPUSA-N has a molecular weight of 349.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for FQTIRZGRPVLRMG-SPYBWZPUSA-N is sourced from PubChem (CID 14107799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 14107799 — identifiers, structure, computed properties (public domain)

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