(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C18H26N2 — CID 102726902

IUPAC(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESc1cc2c(cc1CN1CCC[C@H]3CCCC[C@H]31)CCN2
InChIInChI=1S/C18H26N2/c1-2-6-18-15(4-1)5-3-11-20(18)13-14-7-8-17-16(12-14)9-10-19-17/h7-8,12,15,18-19H,1-6,9-11,13H2/t15-,18-/m1/s1
InChIKeyCQPGVABTQKSPFU-CRAIPNDOSA-N
MW270.42 g/mol
LogP3.81
Rot. Bonds2

About (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 102726902) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID102726902
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESc1cc2c(cc1CN1CCC[C@H]3CCCC[C@H]31)CCN2
InChIInChI=1S/C18H26N2/c1-2-6-18-15(4-1)5-3-11-20(18)13-14-7-8-17-16(12-14)9-10-19-17/h7-8,12,15,18-19H,1-6,9-11,13H2/t15-,18-/m1/s1
InChIKeyCQPGVABTQKSPFU-CRAIPNDOSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylaniline
CID 102726820
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-bromophenol
CID 82982172
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-fluorophenol
CID 107694123
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]methanamine
CID 63888042
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214611
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 103758407
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79930298
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408898

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 102726902) is (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is c1cc2c(cc1CN1CCC[C@H]3CCCC[C@H]31)CCN2.
What is the InChIKey of (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is CQPGVABTQKSPFU-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-6-18-15(4-1)5-3-11-20(18)13-14-7-8-17-16(12-14)9-10-19-17/h7-8,12,15,18-19H,1-6,9-11,13H2/t15-,18-/m1/s1.
What are the key properties of (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 270.42 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 102726902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).