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

C19H24BrN3O — CID 15096690

IUPACN-[(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
SMILESCCCN1C[C@@H](NC=O)C[C@@H]2c3cc(Br)cc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C19H24BrN3O/c1-3-4-23-9-13(21-10-24)7-15-16-5-12(20)6-17-19(16)14(8-18(15)23)11(2)22-17/h5-6,10,13,15,18,22H,3-4,7-9H2,1-2H3,(H,21,24)/t13-,15+,18+/m0/s1
InChIKeyLAFRYAGMIOGKEL-JCKWVBRZSA-N
MW390.33 g/mol
LogP3.48
Rot. Bonds4

About 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

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 (PubChem CID 15096690) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID15096690
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC NameN-[(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
SMILESCCCN1C[C@@H](NC=O)C[C@@H]2c3cc(Br)cc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C19H24BrN3O/c1-3-4-23-9-13(21-10-24)7-15-16-5-12(20)6-17-19(16)14(8-18(15)23)11(2)22-17/h5-6,10,13,15,18,22H,3-4,7-9H2,1-2H3,(H,21,24)/t13-,15+,18+/m0/s1
InChIKeyLAFRYAGMIOGKEL-JCKWVBRZSA-N
XLogP3.48
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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)-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
methyl (6aR,9S)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57142187
(6aR,9R)-9-(methoxymethyl)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 18652439
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-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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1C[C@@H](NC=O)C[C@@H]2c3cc(Br)cc4[nH]c(C)c(c34)C[C@H]21.
What is the InChIKey of 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?
The InChIKey is LAFRYAGMIOGKEL-JCKWVBRZSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-3-4-23-9-13(21-10-24)7-15-16-5-12(20)6-17-19(16)14(8-18(15)23)11(2)22-17/h5-6,10,13,15,18,22H,3-4,7-9H2,1-2H3,(H,21,24)/t13-,15+,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 390.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 15096690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).