(6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide

C16H15N5O — CID 88630902

IUPAC(6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide
SMILESN#CN1CCC=C2c3cccc4c3c(cn4C(=O)NN)C[C@H]21
InChIInChI=1S/C16H15N5O/c17-9-20-6-2-4-11-12-3-1-5-13-15(12)10(7-14(11)20)8-21(13)16(22)19-18/h1,3-5,8,14H,2,6-7,18H2,(H,19,22)/t14-/m1/s1
InChIKeyBYQVTHGHFXSXRJ-CQSZACIVSA-N
MW293.33 g/mol
LogP1.57
Rot. Bonds

About (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide

(6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide (PubChem CID 88630902) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name(6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide
PubChem CID88630902
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name(6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide
SMILESN#CN1CCC=C2c3cccc4c3c(cn4C(=O)NN)C[C@H]21
InChIInChI=1S/C16H15N5O/c17-9-20-6-2-4-11-12-3-1-5-13-15(12)10(7-14(11)20)8-21(13)16(22)19-18/h1,3-5,8,14H,2,6-7,18H2,(H,19,22)/t14-/m1/s1
InChIKeyBYQVTHGHFXSXRJ-CQSZACIVSA-N
XLogP1.57
TPSA87.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide with MolForge

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Related Compounds

3-[(6aR)-7-cyano-5-(methylsulfanylmethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea
CID 57308945
3-[(6aR)-7-propan-2-yl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea
CID 57116316
3-[(6aR)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea;(Z)-but-2-enedioic acid
CID 70042461
3-[(6aR)-7-cyclopropyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea
CID 56978856
(6aR,9R)-4-N,9-N,9-N-triethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4,9-dicarboxamide
CID 170763652
1-[(6aR,9R)-9-[(2S,4S)-2,4-dimethylazetidine-1-carbonyl]-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]ethanone
CID 169433876
1-[(6aR,9R)-9-(2,4-dimethylazetidine-1-carbonyl)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]propan-1-one
CID 166091836
(9R)-4-acetyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 168945021
(6aR,9R)-4-methyl-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
CID 163525313
3-[(6aR,9R)-7-methyl-4-prop-2-ynyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 42630751
(6aR,9S)-4-(1-fluoro-2-iodoethenyl)-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697318
3-[(6aR)-5-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea
CID 70395374

Frequently Asked Questions

What is the IUPAC name of (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide?
The IUPAC name of (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide (CID 88630902) is (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide.
What is the SMILES notation for (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide?
The canonical SMILES for (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide is N#CN1CCC=C2c3cccc4c3c(cn4C(=O)NN)C[C@H]21.
What is the InChIKey of (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide?
The InChIKey is BYQVTHGHFXSXRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N5O/c17-9-20-6-2-4-11-12-3-1-5-13-15(12)10(7-14(11)20)8-21(13)16(22)19-18/h1,3-5,8,14H,2,6-7,18H2,(H,19,22)/t14-/m1/s1.
What are the key properties of (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide?
(6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide has a molecular weight of 293.33 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-7-cyano-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carbohydrazide is sourced from PubChem (CID 88630902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).