1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine

C17H20ClN3 — CID 154053076

IUPAC1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cncc(N2CCc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C17H20ClN3/c1-12(19-2)15-8-17(10-20-9-15)21-6-5-13-7-16(18)4-3-14(13)11-21/h3-4,7-10,12,19H,5-6,11H2,1-2H3
InChIKeyBAPOVSDWZXIYLL-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.58
Rot. Bonds3

About 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine

1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine (PubChem CID 154053076) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine
PubChem CID154053076
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1cncc(N2CCc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C17H20ClN3/c1-12(19-2)15-8-17(10-20-9-15)21-6-5-13-7-16(18)4-3-14(13)11-21/h3-4,7-10,12,19H,5-6,11H2,1-2H3
InChIKeyBAPOVSDWZXIYLL-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 140609204
6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 142721207
3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 141362696
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-1,3,4-thiadiazole
CID 122145243
6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 141362668
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
6-chloro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128738323
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 69473036
N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236182
1-ethyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563451
1-[2-chloro-4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-4,4-dimethylpentan-2-one
CID 58097367

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine (CID 154053076) is 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine is CNC(C)c1cncc(N2CCc3cc(Cl)ccc3C2)c1.
What is the InChIKey of 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine?
The InChIKey is BAPOVSDWZXIYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-12(19-2)15-8-17(10-20-9-15)21-6-5-13-7-16(18)4-3-14(13)11-21/h3-4,7-10,12,19H,5-6,11H2,1-2H3.
What are the key properties of 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine?
1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine has a molecular weight of 301.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 154053076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).