[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H18Cl2N2O2 — CID 120791636

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)O1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-3-1-9-8-19(6-5-11(9)14(12)17)15(20)13-4-2-10(7-18)21-13/h1,3,10,13H,2,4-8,18H2/t10-,13+/m1/s1
InChIKeySQHCYXPBRZTRLV-MFKMUULPSA-N
MW329.23 g/mol
LogP2.38
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 120791636) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID120791636
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)O1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-3-1-9-8-19(6-5-11(9)14(12)17)15(20)13-4-2-10(7-18)21-13/h1,3,10,13H,2,4-8,18H2/t10-,13+/m1/s1
InChIKeySQHCYXPBRZTRLV-MFKMUULPSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120795779
1-[2-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 120792760
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120790270
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788098
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
3-amino-1-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one;hydrochloride
CID 119768733
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120790445
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 120798360
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120785642
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 120791636) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is NC[C@H]1CC[C@@H](C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is SQHCYXPBRZTRLV-MFKMUULPSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-3-1-9-8-19(6-5-11(9)14(12)17)15(20)13-4-2-10(7-18)21-13/h1,3,10,13H,2,4-8,18H2/t10-,13+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 329.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 120791636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).