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

C20H24ClN3O — CID 70406383

IUPACN-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
SMILESCN1C[C@@H](NC(=O)C(C)(C)C)C=C2c3cccc4[nH]c(Cl)c(c34)C[C@H]21
InChIInChI=1S/C20H24ClN3O/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/h5-8,11,16,23H,9-10H2,1-4H3,(H,22,25)/t11-,16+/m0/s1
InChIKeyBWSUWOGGNIKYDW-MEDUHNTESA-N
MW357.89 g/mol
LogP3.61
Rot. Bonds1

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

N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide (PubChem CID 70406383) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-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-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
PubChem CID70406383
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
SMILESCN1C[C@@H](NC(=O)C(C)(C)C)C=C2c3cccc4[nH]c(Cl)c(c34)C[C@H]21
InChIInChI=1S/C20H24ClN3O/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/h5-8,11,16,23H,9-10H2,1-4H3,(H,22,25)/t11-,16+/m0/s1
InChIKeyBWSUWOGGNIKYDW-MEDUHNTESA-N
XLogP3.61
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

1-[(6aS)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylethenamine
CID 166138308
N-[(6aR)-7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3-hydroxy-2-methylpropanamide
CID 129212301
N-[(6aR)-7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
CID 129213359
methyl (6aR,9S)-9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-5-carboxylate
CID 70395871
N-[(6aR)-7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(hydroxymethyl)butanamide
CID 129212300
N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide
CID 122416721
(6aR,9R)-5-bromo-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67943696
(6aR)-N,7-dimethyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 144653663
CID 167513644
CID 167513644
1-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3-ethylurea
CID 118989318
1,1-diethyl-3-[(9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]urea
CID 12917881
N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
CID 10337651

Frequently Asked Questions

What is the IUPAC name of N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-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-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide (CID 70406383) is N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-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-tetrahydro-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-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide is CN1C[C@@H](NC(=O)C(C)(C)C)C=C2c3cccc4[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-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The InChIKey is BWSUWOGGNIKYDW-MEDUHNTESA-N. The full InChI is InChI=1S/C20H24ClN3O/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/h5-8,11,16,23H,9-10H2,1-4H3,(H,22,25)/t11-,16+/m0/s1.
What are the key properties of N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide has a molecular weight of 357.89 g/mol, XLogP of 3.61, 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-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 70406383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).