N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide

C20H26BrN3O — CID 15096711

IUPACN-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
SMILESCCCN1C[C@H](NC(C)=O)C[C@@H]2c3cc(Br)cc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C20H26BrN3O/c1-4-5-24-10-14(23-12(3)25)8-16-17-6-13(21)7-18-20(17)15(9-19(16)24)11(2)22-18/h6-7,14,16,19,22H,4-5,8-10H2,1-3H3,(H,23,25)/t14-,16-,19-/m1/s1
InChIKeyVOJPBSYAJWREFL-IDHHARJASA-N
MW404.35 g/mol
LogP3.87
Rot. Bonds3

About N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide

N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide (PubChem CID 15096711) has the molecular formula C20H26BrN3O and a molecular weight of 404.35 g/mol. Its IUPAC name is N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide.

Molecular Properties

Compound NameN-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
PubChem CID15096711
Molecular FormulaC20H26BrN3O
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC NameN-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
SMILESCCCN1C[C@H](NC(C)=O)C[C@@H]2c3cc(Br)cc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C20H26BrN3O/c1-4-5-24-10-14(23-12(3)25)8-16-17-6-13(21)7-18-20(17)15(9-19(16)24)11(2)22-18/h6-7,14,16,19,22H,4-5,8-10H2,1-3H3,(H,23,25)/t14-,16-,19-/m1/s1
InChIKeyVOJPBSYAJWREFL-IDHHARJASA-N
XLogP3.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide with MolForge

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Related Compounds

N-[(6aR,9S,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]formamide
CID 15096690
N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 15096714
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
3-[(6aR,9S,10aR)-2-acetyl-5-bromo-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 67788597
2-[(6aR,9S)-2-bromo-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 70044322
N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanethioamide
CID 15069954
3-[(6aR,9S,10aR)-3-acetyl-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 86748587
methyl (6aR,9S)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57142187
3-[(6aR,9S)-5-chloro-2-(1-hydroxyethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 67788360
2-[(6aR,9S,10aR)-2-bromo-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 15096709
3-[(6aR,9S,10aR)-5-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 14723166
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

Frequently Asked Questions

What is the IUPAC name of N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
The IUPAC name of N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide (CID 15096711) is N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide.
What is the SMILES notation for N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
The canonical SMILES for N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide is CCCN1C[C@H](NC(C)=O)C[C@@H]2c3cc(Br)cc4[nH]c(C)c(c34)C[C@H]21.
What is the InChIKey of N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
The InChIKey is VOJPBSYAJWREFL-IDHHARJASA-N. The full InChI is InChI=1S/C20H26BrN3O/c1-4-5-24-10-14(23-12(3)25)8-16-17-6-13(21)7-18-20(17)15(9-19(16)24)11(2)22-18/h6-7,14,16,19,22H,4-5,8-10H2,1-3H3,(H,23,25)/t14-,16-,19-/m1/s1.
What are the key properties of N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide has a molecular weight of 404.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide is sourced from PubChem (CID 15096711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).