(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C28H39N5O3 — CID 71720492

IUPAC(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C28H39N5O3/c1-3-9-32-19-21(16-23-22-7-5-8-24-26(22)20(18-30-24)17-25(23)32)27(34)33(28(35)29-4-2)11-6-10-31-12-14-36-15-13-31/h3,5,7-8,18,21,23,25,30H,1,4,6,9-17,19H2,2H3,(H,29,35)/t21-,23-,25-/m1/s1
InChIKeyGIVLQJIZLYGZTG-GZGNHOFSSA-N
MW493.65 g/mol
LogP2.96
Rot. Bonds8

About (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 71720492) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID71720492
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC Name(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C28H39N5O3/c1-3-9-32-19-21(16-23-22-7-5-8-24-26(22)20(18-30-24)17-25(23)32)27(34)33(28(35)29-4-2)11-6-10-31-12-14-36-15-13-31/h3,5,7-8,18,21,23,25,30H,1,4,6,9-17,19H2,2H3,(H,29,35)/t21-,23-,25-/m1/s1
InChIKeyGIVLQJIZLYGZTG-GZGNHOFSSA-N
XLogP2.96
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 71720492) is (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is GIVLQJIZLYGZTG-GZGNHOFSSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-3-9-32-19-21(16-23-22-7-5-8-24-26(22)20(18-30-24)17-25(23)32)27(34)33(28(35)29-4-2)11-6-10-31-12-14-36-15-13-31/h3,5,7-8,18,21,23,25,30H,1,4,6,9-17,19H2,2H3,(H,29,35)/t21-,23-,25-/m1/s1.
What are the key properties of (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 71720492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).