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

C19H24ClN3O — CID 10337651

IUPACN-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1CN[C@@H]2Cc3c(Cl)[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C19H24ClN3O/c1-19(2,3)18(24)22-10-7-12-11-5-4-6-14-16(11)13(17(20)23-14)8-15(12)21-9-10/h4-6,10,12,15,21,23H,7-9H2,1-3H3,(H,22,24)/t10-,12+,15+/m0/s1
InChIKeyQJKXWYPZJQQEAL-JVLSTEMRSA-N
MW345.87 g/mol
LogP3.35
Rot. Bonds1

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

N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide (PubChem CID 10337651) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
PubChem CID10337651
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1CN[C@@H]2Cc3c(Cl)[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C19H24ClN3O/c1-19(2,3)18(24)22-10-7-12-11-5-4-6-14-16(11)13(17(20)23-14)8-15(12)21-9-10/h4-6,10,12,15,21,23H,7-9H2,1-3H3,(H,22,24)/t10-,12+,15+/m0/s1
InChIKeyQJKXWYPZJQQEAL-JVLSTEMRSA-N
XLogP3.35
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide 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
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
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
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
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol
CID 57174499
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
[(6aS,10aS)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl methyl carbonate
CID 70628113
(6aR)-9-(bromomethyl)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 54476679
2-[(6aR,9R)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 22812435
(6aR,9R,10aR)-5-chloro-9-(methoxymethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;butanedioic acid
CID 70042103
[(6aS,10aS)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl methanesulfonate
CID 88812486

Frequently Asked Questions

What is the IUPAC name of N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The IUPAC name of 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) is N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H]1CN[C@@H]2Cc3c(Cl)[nH]c4cccc(c34)[C@H]2C1.
What is the InChIKey of N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
The InChIKey is QJKXWYPZJQQEAL-JVLSTEMRSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-19(2,3)18(24)22-10-7-12-11-5-4-6-14-16(11)13(17(20)23-14)8-15(12)21-9-10/h4-6,10,12,15,21,23H,7-9H2,1-3H3,(H,22,24)/t10-,12+,15+/m0/s1.
What are the key properties of N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide?
N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide has a molecular weight of 345.87 g/mol, XLogP of 3.35, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR,9S,10aR)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10337651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).