1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol

C28H34N4O2 — CID 143189430

IUPAC1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol
SMILESCOc1cnc2cccc(C(O)CN3CCCC4CC(NC/C=C/c5ccccn5)CC43)c2c1
InChIInChI=1S/C28H34N4O2/c1-34-23-17-25-24(10-4-11-26(25)31-18-23)28(33)19-32-14-6-7-20-15-22(16-27(20)32)30-13-5-9-21-8-2-3-12-29-21/h2-5,8-12,17-18,20,22,27-28,30,33H,6-7,13-16,19H2,1H3/b9-5+
InChIKeyFHLZHWQATDXIMT-WEVVVXLNSA-N
MW458.61 g/mol
LogP4.22
Rot. Bonds8

About 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol

1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol (PubChem CID 143189430) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol
PubChem CID143189430
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol
SMILESCOc1cnc2cccc(C(O)CN3CCCC4CC(NC/C=C/c5ccccn5)CC43)c2c1
InChIInChI=1S/C28H34N4O2/c1-34-23-17-25-24(10-4-11-26(25)31-18-23)28(33)19-32-14-6-7-20-15-22(16-27(20)32)30-13-5-9-21-8-2-3-12-29-21/h2-5,8-12,17-18,20,22,27-28,30,33H,6-7,13-16,19H2,1H3/b9-5+
InChIKeyFHLZHWQATDXIMT-WEVVVXLNSA-N
XLogP4.22
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
CID 69377865
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 59626858
(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
CID 141137953
1-(3-chloro-6-methoxyquinolin-4-yl)-2-[3-(3-phenylprop-2-enylamino)-8-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 69438329
2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-(3-methylquinolin-5-yl)ethanol;ethane
CID 143437153
7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 59626865
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
ethane;7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 143437106
1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 69183300
2-{3-(tert-Butyl-dimethyl-silanyloxymethyl)-4-[(2,3-dihydro-benzo-[1,4]dioxin-6-ylmethyl)-amino]-piperidin-1-yl}-1-(3-methoxy-quinolin-5-yl)-ethanol
CID 68782135
N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 59626901

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol?
The IUPAC name of 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol (CID 143189430) is 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol.
What is the SMILES notation for 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol?
The canonical SMILES for 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol is COc1cnc2cccc(C(O)CN3CCCC4CC(NC/C=C/c5ccccn5)CC43)c2c1.
What is the InChIKey of 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol?
The InChIKey is FHLZHWQATDXIMT-WEVVVXLNSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-34-23-17-25-24(10-4-11-26(25)31-18-23)28(33)19-32-14-6-7-20-15-22(16-27(20)32)30-13-5-9-21-8-2-3-12-29-21/h2-5,8-12,17-18,20,22,27-28,30,33H,6-7,13-16,19H2,1H3/b9-5+.
What are the key properties of 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol?
1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol has a molecular weight of 458.61 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol is sourced from PubChem (CID 143189430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).