(3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one

C67H70BrN5O6 — CID 160563945

IUPAC(3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(c2)CN(C)CC3)cc2ncccc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C26H28N2O2.C25H26N2O2.C16H16BrNO2/c1-17(19-7-8-23(29)13-19)30-26-15-21(14-25-24(26)4-3-10-27-25)20-6-5-18-9-11-28(2)16-22(18)12-20;1-16(18-6-7-22(28)12-18)29-25-14-20(13-24-23(25)3-2-9-27-24)19-5-4-17-8-10-26-15-21(17)11-19;1-10(11-4-5-13(19)7-11)20-16-9-12(17)8-15-14(16)3-2-6-18-15/h3-6,10,12,14-15,17,19H,7-9,11,13,16H2,1-2H3;2-5,9,11,13-14,16,18,26H,6-8,10,12,15H2,1H3;2-3,6,8-11H,4-5,7H2,1H3/t17-,19+;16-,18+;10-,11+/m111/s1
InChIKeyQZRIEYKFXLRCQI-SEHPNMKVSA-N
MW1121.23 g/mol
LogP13.84
Rot. Bonds11

About (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one (PubChem CID 160563945) has the molecular formula C67H70BrN5O6 and a molecular weight of 1121.23 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one
PubChem CID160563945
Molecular FormulaC67H70BrN5O6
Molecular Weight1121.23 g/mol
Exact Mass1119.45
IUPAC Name(3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2ccc3c(c2)CN(C)CC3)cc2ncccc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C26H28N2O2.C25H26N2O2.C16H16BrNO2/c1-17(19-7-8-23(29)13-19)30-26-15-21(14-25-24(26)4-3-10-27-25)20-6-5-18-9-11-28(2)16-22(18)12-20;1-16(18-6-7-22(28)12-18)29-25-14-20(13-24-23(25)3-2-9-27-24)19-5-4-17-8-10-26-15-21(17)11-19;1-10(11-4-5-13(19)7-11)20-16-9-12(17)8-15-14(16)3-2-6-18-15/h3-6,10,12,14-15,17,19H,7-9,11,13,16H2,1-2H3;2-5,9,11,13-14,16,18,26H,6-8,10,12,15H2,1H3;2-3,6,8-11H,4-5,7H2,1H3/t17-,19+;16-,18+;10-,11+/m111/s1
InChIKeyQZRIEYKFXLRCQI-SEHPNMKVSA-N
XLogP13.84
TPSA132.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.23
LogP ≤ 513.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one 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

(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 160580927
(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one;quinolin-6-ylboronic acid;(4R)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 160991855
(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one
CID 160563947

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one (CID 160563945) is (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(-c2ccc3c(c2)CN(C)CC3)cc2ncccc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccc3c(c2)CNCC3)cc2ncccc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is QZRIEYKFXLRCQI-SEHPNMKVSA-N. The full InChI is InChI=1S/C26H28N2O2.C25H26N2O2.C16H16BrNO2/c1-17(19-7-8-23(29)13-19)30-26-15-21(14-25-24(26)4-3-10-27-25)20-6-5-18-9-11-28(2)16-22(18)12-20;1-16(18-6-7-22(28)12-18)29-25-14-20(13-24-23(25)3-2-9-27-24)19-5-4-17-8-10-26-15-21(17)11-19;1-10(11-4-5-13(19)7-11)20-16-9-12(17)8-15-14(16)3-2-6-18-15/h3-6,10,12,14-15,17,19H,7-9,11,13,16H2,1-2H3;2-5,9,11,13-14,16,18,26H,6-8,10,12,15H2,1H3;2-3,6,8-11H,4-5,7H2,1H3/t17-,19+;16-,18+;10-,11+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1121.23 g/mol, XLogP of 13.84, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 160563945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).