(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C16H17N3O2 — CID 94654100

IUPAC(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@@H](C(=O)NO)C=C2c3cccc4[nH]cc(c34)C[C@@H]21
InChIInChI=1S/C16H17N3O2/c1-19-8-10(16(20)18-21)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)19/h2-5,7,10,14,17,21H,6,8H2,1H3,(H,18,20)/t10-,14-/m0/s1
InChIKeyHDSMKLNPMPPCHR-HZMBPMFUSA-N
MW283.33 g/mol
LogP1.54
Rot. Bonds1

About (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 94654100) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID94654100
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1C[C@@H](C(=O)NO)C=C2c3cccc4[nH]cc(c34)C[C@@H]21
InChIInChI=1S/C16H17N3O2/c1-19-8-10(16(20)18-21)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)19/h2-5,7,10,14,17,21H,6,8H2,1H3,(H,18,20)/t10-,14-/m0/s1
InChIKeyHDSMKLNPMPPCHR-HZMBPMFUSA-N
XLogP1.54
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 94654100) is (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1C[C@@H](C(=O)NO)C=C2c3cccc4[nH]cc(c34)C[C@@H]21.
What is the InChIKey of (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is HDSMKLNPMPPCHR-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-8-10(16(20)18-21)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)19/h2-5,7,10,14,17,21H,6,8H2,1H3,(H,18,20)/t10-,14-/m0/s1.
What are the key properties of (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 94654100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).