N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide

C20H26ClN3O — CID 22849992

IUPACN-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
SMILESCN1C[C@@H](NC(=O)C(C)(C)C)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21
InChIInChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13?,16+/m0/s1
InChIKeyQXOFQMUQMXGKGQ-VKCPWKDNSA-N
MW359.90 g/mol
LogP3.70
Rot. Bonds1

About N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide

N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide (PubChem CID 22849992) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
PubChem CID22849992
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
SMILESCN1C[C@@H](NC(=O)C(C)(C)C)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21
InChIInChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13?,16+/m0/s1
InChIKeyQXOFQMUQMXGKGQ-VKCPWKDNSA-N
XLogP3.70
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide (CID 22849992) is N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide is CN1C[C@@H](NC(=O)C(C)(C)C)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21.
What is the InChIKey of N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The InChIKey is QXOFQMUQMXGKGQ-VKCPWKDNSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13?,16+/m0/s1.
What are the key properties of N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide has a molecular weight of 359.90 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 22849992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).