N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane

C29H45N5O2 — CID 143733613

IUPACN-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane
SMILESC=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4c3c(cn4C)CC21.CC
InChIInChI=1S/C27H39N5O2.C2H6/c1-6-12-31-18-20(26(33)32(27(34)28-7-2)14-9-13-29(3)4)15-22-21-10-8-11-23-25(21)19(16-24(22)31)17-30(23)5;1-2/h6,8,10-11,17,20,22,24H,1,7,9,12-16,18H2,2-5H3,(H,28,34);1-2H3
InChIKeyRYUOXEXKJUOABJ-UHFFFAOYSA-N
MW495.71 g/mol
LogP4.23
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane

N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane (PubChem CID 143733613) has the molecular formula C29H45N5O2 and a molecular weight of 495.71 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane
PubChem CID143733613
Molecular FormulaC29H45N5O2
Molecular Weight495.71 g/mol
Exact Mass495.36
IUPAC NameN-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane
SMILESC=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4c3c(cn4C)CC21.CC
InChIInChI=1S/C27H39N5O2.C2H6/c1-6-12-31-18-20(26(33)32(27(34)28-7-2)14-9-13-29(3)4)15-22-21-10-8-11-23-25(21)19(16-24(22)31)17-30(23)5;1-2/h6,8,10-11,17,20,22,24H,1,7,9,12-16,18H2,2-5H3,(H,28,34);1-2H3
InChIKeyRYUOXEXKJUOABJ-UHFFFAOYSA-N
XLogP4.23
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.71
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;1,3,5-trimethylbenzene
CID 69314497
(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 89200297
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-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
CID 158783855
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 13477284
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl acetate
CID 91199959
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 78158047
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl 2-aminoacetate
CID 161019179
[(6aR,9R,10aR)-9-[3-(dimethylamino)propylcarbamoyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl] N-ethylmethanimidate
CID 59841565
2-[3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl-methylamino]acetic acid;ethyl 2-[3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl-methylamino]acetate;methane
CID 158429809
bis((6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);bis((6aR,9R,10aR)-N-[3-[(2-aminoacetyl)amino]propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)
CID 160657660
(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
tris((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);tetrakis(3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl acetate)
CID 158528256

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane (CID 143733613) is N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane is C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4c3c(cn4C)CC21.CC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane?
The InChIKey is RYUOXEXKJUOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2.C2H6/c1-6-12-31-18-20(26(33)32(27(34)28-7-2)14-9-13-29(3)4)15-22-21-10-8-11-23-25(21)19(16-24(22)31)17-30(23)5;1-2/h6,8,10-11,17,20,22,24H,1,7,9,12-16,18H2,2-5H3,(H,28,34);1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane?
N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane has a molecular weight of 495.71 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;ethane is sourced from PubChem (CID 143733613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).