[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone

C23H25N3O — CID 166092004

IUPAC[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
SMILESC#CCN1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)CC21C
InChIInChI=1S/C23H25N3O/c1-3-9-26-15-16(22(27)25-10-4-5-11-25)12-19-18-7-6-8-20-21(18)17(14-24-20)13-23(19,26)2/h1,6-8,12,14,16,24H,4-5,9-11,13,15H2,2H3/t16-,23?/m1/s1
InChIKeyXUEPZSQRZWVNCE-ADRQNKRLSA-N
MW359.47 g/mol
LogP3.05
Rot. Bonds2

About [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone

[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 166092004) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID166092004
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
SMILESC#CCN1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)CC21C
InChIInChI=1S/C23H25N3O/c1-3-9-26-15-16(22(27)25-10-4-5-11-25)12-19-18-7-6-8-20-21(18)17(14-24-20)13-23(19,26)2/h1,6-8,12,14,16,24H,4-5,9-11,13,15H2,2H3/t16-,23?/m1/s1
InChIKeyXUEPZSQRZWVNCE-ADRQNKRLSA-N
XLogP3.05
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 166038736
(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
CID 70917636
(6aR,9R)-N,N-diethyl-6a-methyl-7-[(3-methylphenyl)methyl]-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 172578083
[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 167171045
9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 68547726
(9R)-N,N-diethyl-7-[(2-methoxyphenyl)methyl]-6a-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 171536868
(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid
CID 129260616
(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 170723210
(6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone
CID 170723200
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 3048720
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920

Frequently Asked Questions

What is the IUPAC name of [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone (CID 166092004) is [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone is C#CCN1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)CC21C.
What is the InChIKey of [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XUEPZSQRZWVNCE-ADRQNKRLSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-9-26-15-16(22(27)25-10-4-5-11-25)12-19-18-7-6-8-20-21(18)17(14-24-20)13-23(19,26)2/h1,6-8,12,14,16,24H,4-5,9-11,13,15H2,2H3/t16-,23?/m1/s1.
What are the key properties of [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 359.47 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166092004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).