(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline

C29H25N5O — CID 23616047

IUPAC(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline
SMILESC1=Nc2cccc3c2c1cc1ncccc13.NC(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C15H17N3O.C14H8N2/c16-15(19)9-4-11-10-2-1-3-12-14(10)8(6-17-12)5-13(11)18-7-9;1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1-3,6,9,11,13,17-18H,4-5,7H2,(H2,16,19);1-8H/t9?,11-,13-;/m1./s1
InChIKeyVRJQRSJOUAGIFC-DIINGDELSA-N
MW459.55 g/mol
LogP4.72
Rot. Bonds1

About (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline

(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline (PubChem CID 23616047) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline
PubChem CID23616047
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline
SMILESC1=Nc2cccc3c2c1cc1ncccc13.NC(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C15H17N3O.C14H8N2/c16-15(19)9-4-11-10-2-1-3-12-14(10)8(6-17-12)5-13(11)18-7-9;1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1-3,6,9,11,13,17-18H,4-5,7H2,(H2,16,19);1-8H/t9?,11-,13-;/m1./s1
InChIKeyVRJQRSJOUAGIFC-DIINGDELSA-N
XLogP4.72
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline with MolForge

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Launch Full Analysis

Related Compounds

(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 57294554
(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 70573336
(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 151097344
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
CID 70167957
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54146614
(6aR,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57273509
N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 123799019
(6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 143894288
2-[[(9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethanol
CID 90128946
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid
CID 70365507
(6aR,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57002395

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline (CID 23616047) is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline is C1=Nc2cccc3c2c1cc1ncccc13.NC(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.
What is the InChIKey of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline?
The InChIKey is VRJQRSJOUAGIFC-DIINGDELSA-N. The full InChI is InChI=1S/C15H17N3O.C14H8N2/c16-15(19)9-4-11-10-2-1-3-12-14(10)8(6-17-12)5-13(11)18-7-9;1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1-3,6,9,11,13,17-18H,4-5,7H2,(H2,16,19);1-8H/t9?,11-,13-;/m1./s1.
What are the key properties of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline?
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline has a molecular weight of 459.55 g/mol, XLogP of 4.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline is sourced from PubChem (CID 23616047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).