3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine

C24H29N3O — CID 176928173

IUPAC3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC[C@H](c1cnc2ccc(OCCCN(C)C)cc2c1)N1CCc2ccccc21
InChIInChI=1S/C24H29N3O/c1-18(27-13-11-19-7-4-5-8-24(19)27)21-15-20-16-22(9-10-23(20)25-17-21)28-14-6-12-26(2)3/h4-5,7-10,15-18H,6,11-14H2,1-3H3/t18-/m1/s1
InChIKeyKWGXKHVYGDODHJ-GOSISDBHSA-N
MW375.52 g/mol
LogP4.69
Rot. Bonds7

About 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine

3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 176928173) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID176928173
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC[C@H](c1cnc2ccc(OCCCN(C)C)cc2c1)N1CCc2ccccc21
InChIInChI=1S/C24H29N3O/c1-18(27-13-11-19-7-4-5-8-24(19)27)21-15-20-16-22(9-10-23(20)25-17-21)28-14-6-12-26(2)3/h4-5,7-10,15-18H,6,11-14H2,1-3H3/t18-/m1/s1
InChIKeyKWGXKHVYGDODHJ-GOSISDBHSA-N
XLogP4.69
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 176928161
N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
CID 121353391
5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone
CID 162672250
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,4S,6R)-4-[3-[6-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-3-yl]oxypropyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]methoxy]-14-ethyl-12,13-dihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 176927269
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
3-[17-[3-(dimethylamino)propoxy]-1,3,10,12-tetrazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4,6,8,10,15(20),16,18-octaen-12-yl]-N,N-dimethylpropan-1-amine
CID 162665822
N,N-dimethyl-3-[[2-(methylaminomethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]propan-1-amine
CID 142171757
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866
6-methyl-4-[methyl-[3-[7-[1-[5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]ethyl]naphthalen-2-yl]oxypropyl]amino]oxan-2-ol
CID 176927260
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine (CID 176928173) is 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine is C[C@H](c1cnc2ccc(OCCCN(C)C)cc2c1)N1CCc2ccccc21.
What is the InChIKey of 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is KWGXKHVYGDODHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18(27-13-11-19-7-4-5-8-24(19)27)21-15-20-16-22(9-10-23(20)25-17-21)28-14-6-12-26(2)3/h4-5,7-10,15-18H,6,11-14H2,1-3H3/t18-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine?
3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 375.52 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]quinolin-6-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 176928173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).