(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C28H43N5O2 — CID 67885366

IUPAC(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]c(CC)c(c34)C[C@H]21
InChIInChI=1S/C28H43N5O2/c1-6-13-32-18-19(27(34)33(28(35)29-8-3)15-10-14-31(4)5)16-21-20-11-9-12-24-26(20)22(17-25(21)32)23(7-2)30-24/h9,11-12,19,21,25,30H,6-8,10,13-18H2,1-5H3,(H,29,35)/t19-,21-,25-/m1/s1
InChIKeyYFZBXAVRIXFJCA-DZRGJMJISA-N
MW481.69 g/mol
LogP3.98
Rot. Bonds9

About (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 67885366) has the molecular formula C28H43N5O2 and a molecular weight of 481.69 g/mol. Its IUPAC name is (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID67885366
Molecular FormulaC28H43N5O2
Molecular Weight481.69 g/mol
Exact Mass481.34
IUPAC Name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]c(CC)c(c34)C[C@H]21
InChIInChI=1S/C28H43N5O2/c1-6-13-32-18-19(27(34)33(28(35)29-8-3)15-10-14-31(4)5)16-21-20-11-9-12-24-26(20)22(17-25(21)32)23(7-2)30-24/h9,11-12,19,21,25,30H,6-8,10,13-18H2,1-5H3,(H,29,35)/t19-,21-,25-/m1/s1
InChIKeyYFZBXAVRIXFJCA-DZRGJMJISA-N
XLogP3.98
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.69
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-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-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 67885366) is (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-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-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]c(CC)c(c34)C[C@H]21.
What is the InChIKey of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is YFZBXAVRIXFJCA-DZRGJMJISA-N. The full InChI is InChI=1S/C28H43N5O2/c1-6-13-32-18-19(27(34)33(28(35)29-8-3)15-10-14-31(4)5)16-21-20-11-9-12-24-26(20)22(17-25(21)32)23(7-2)30-24/h9,11-12,19,21,25,30H,6-8,10,13-18H2,1-5H3,(H,29,35)/t19-,21-,25-/m1/s1.
What are the key properties of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 481.69 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 67885366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).