N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide

C23H25FN4O — CID 22813105

IUPACN'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide
SMILESCN1C[C@H](CNNC(=O)c2ccc(F)cc2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C23H25FN4O/c1-28-13-14(11-26-27-23(29)15-5-7-17(24)8-6-15)9-19-18-3-2-4-20-22(18)16(12-25-20)10-21(19)28/h2-8,12,14,19,21,25-26H,9-11,13H2,1H3,(H,27,29)/t14-,19?,21+/m0/s1
InChIKeyARXUNUPHVCDVNJ-XTAYQOGCSA-N
MW392.48 g/mol
LogP3.20
Rot. Bonds4

About N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide

N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide (PubChem CID 22813105) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide
PubChem CID22813105
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide
SMILESCN1C[C@H](CNNC(=O)c2ccc(F)cc2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C23H25FN4O/c1-28-13-14(11-26-27-23(29)15-5-7-17(24)8-6-15)9-19-18-3-2-4-20-22(18)16(12-25-20)10-21(19)28/h2-8,12,14,19,21,25-26H,9-11,13H2,1H3,(H,27,29)/t14-,19?,21+/m0/s1
InChIKeyARXUNUPHVCDVNJ-XTAYQOGCSA-N
XLogP3.20
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
CID 57020678
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
methyl 2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetate
CID 12782970
N-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylcarbamothioyl]benzamide
CID 13188271
N-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylcarbamothioyl]propanamide
CID 88704534
1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]pyrrole-2,5-diol
CID 57141057
(6aR,9R,10aR)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
CID 21154393
2-[(9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 10364519
ethyl 2-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylcarbamoyl-methylamino]acetate
CID 70424648
3-[[(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylamino]cyclohex-2-en-1-one
CID 22823127
N-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 57023142
2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethanamine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 24837813

Frequently Asked Questions

What is the IUPAC name of N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide (CID 22813105) is N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide is CN1C[C@H](CNNC(=O)c2ccc(F)cc2)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide?
The InChIKey is ARXUNUPHVCDVNJ-XTAYQOGCSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-28-13-14(11-26-27-23(29)15-5-7-17(24)8-6-15)9-19-18-3-2-4-20-22(18)16(12-25-20)10-21(19)28/h2-8,12,14,19,21,25-26H,9-11,13H2,1H3,(H,27,29)/t14-,19?,21+/m0/s1.
What are the key properties of N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide?
N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide has a molecular weight of 392.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 22813105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).