N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide

C23H33N3O — CID 14369085

IUPACN-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide
SMILESCCC(C)(CC)C(=O)NC1CC2c3cccc4[nH]c(C)c(c34)CC2N(C)C1
InChIInChI=1S/C23H33N3O/c1-6-23(4,7-2)22(27)25-15-11-18-16-9-8-10-19-21(16)17(14(3)24-19)12-20(18)26(5)13-15/h8-10,15,18,20,24H,6-7,11-13H2,1-5H3,(H,25,27)
InChIKeyUXRWQKITDPCICD-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.13
Rot. Bonds4

About N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide

N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide (PubChem CID 14369085) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide
PubChem CID14369085
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide
SMILESCCC(C)(CC)C(=O)NC1CC2c3cccc4[nH]c(C)c(c34)CC2N(C)C1
InChIInChI=1S/C23H33N3O/c1-6-23(4,7-2)22(27)25-15-11-18-16-9-8-10-19-21(16)17(14(3)24-19)12-20(18)26(5)13-15/h8-10,15,18,20,24H,6-7,11-13H2,1-5H3,(H,25,27)
InChIKeyUXRWQKITDPCICD-UHFFFAOYSA-N
XLogP4.13
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide with MolForge

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Related Compounds

N-[(6aR,9S,10aR)-5-iodo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
CID 154153260
methyl (6aR,9S,10aR)-9-(2,2-dimethylpropanoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5-carboxylate
CID 154294840
3-[(6aR,9S)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 70049808
(6aR,9S,10aR)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 14277600
3-[(9R)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 59144707
3-(5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-1,1-diethylurea
CID 13059859
3-[(6aR,9S,10aR)-2-(2-hydroxypropan-2-yl)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 67788699
(6aR,9S)-9-(diethylcarbamoylamino)-N,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5-carboxamide
CID 54533174
(6aR,9S,10aR)-9-(diethylcarbamoylamino)-N,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5-carboxamide
CID 70395115
3-[(6aR,9S)-7-methyl-5-propanoyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 70395041
3-(5-cyclopropyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-1,1-diethylurea
CID 129157321
3-[(6aR,9S,10aR)-7-methyl-5-phenyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 14653018

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide?
The IUPAC name of N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide (CID 14369085) is N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide.
What is the SMILES notation for N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide?
The canonical SMILES for N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide is CCC(C)(CC)C(=O)NC1CC2c3cccc4[nH]c(C)c(c34)CC2N(C)C1.
What is the InChIKey of N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide?
The InChIKey is UXRWQKITDPCICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-6-23(4,7-2)22(27)25-15-11-18-16-9-8-10-19-21(16)17(14(3)24-19)12-20(18)26(5)13-15/h8-10,15,18,20,24H,6-7,11-13H2,1-5H3,(H,25,27).
What are the key properties of N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide?
N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide has a molecular weight of 367.54 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide is sourced from PubChem (CID 14369085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).