(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C20H25N3O3 — CID 95162787

IUPAC(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@](O)(C[C@H]2N(C)C1)C(=O)N4
InChIInChI=1S/C20H25N3O3/c1-4-8-22(2)18(24)12-9-14-13-6-5-7-15-17(13)20(26,19(25)21-15)10-16(14)23(3)11-12/h5-7,9,12,16,26H,4,8,10-11H2,1-3H3,(H,21,25)/t12-,16-,20-/m1/s1
InChIKeyPSQLKUJBRLOLIQ-CBLJQSSYSA-N
MW355.44 g/mol
LogP1.41
Rot. Bonds3

About (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 95162787) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID95162787
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@](O)(C[C@H]2N(C)C1)C(=O)N4
InChIInChI=1S/C20H25N3O3/c1-4-8-22(2)18(24)12-9-14-13-6-5-7-15-17(13)20(26,19(25)21-15)10-16(14)23(3)11-12/h5-7,9,12,16,26H,4,8,10-11H2,1-3H3,(H,21,25)/t12-,16-,20-/m1/s1
InChIKeyPSQLKUJBRLOLIQ-CBLJQSSYSA-N
XLogP1.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,9R)-5a-hydroxy-7-methyl-5-oxo-N,N-bis(1,1,2,2,2-pentadeuterioethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 139024180
N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 169048317
(2,5-dioxopyrrolidin-1-yl) 4-[4-[3-[(6aR,9R)-9-(diethylcarbamoyl)-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]propylcarbamoyl]phenyl]benzoate
CID 89390466
(4R)-N,N-diethyl-6,11-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977745
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;N,N-dimethylhexadecan-1-amine
CID 174946917
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
CID 167513644
CID 167513644
(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
(6aS,9R)-N-ethyl-N-(2-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166138526
(4R,7S)-14-chloro-N,N-diethyl-6-methyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
CID 176977727
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexadecanedioic acid
CID 174864817
(6aR,9R)-5-bromo-3-deuterio-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 177094387

Frequently Asked Questions

What is the IUPAC name of (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 95162787) is (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@](O)(C[C@H]2N(C)C1)C(=O)N4.
What is the InChIKey of (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is PSQLKUJBRLOLIQ-CBLJQSSYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-8-22(2)18(24)12-9-14-13-6-5-7-15-17(13)20(26,19(25)21-15)10-16(14)23(3)11-12/h5-7,9,12,16,26H,4,8,10-11H2,1-3H3,(H,21,25)/t12-,16-,20-/m1/s1.
What are the key properties of (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,6aR,9R)-5a-hydroxy-N,7-dimethyl-5-oxo-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 95162787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).