6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

C20H25ClN4 — CID 141362668

IUPAC6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCN(Cc2ccncc2N2CCc3cc(Cl)ccc3C2)CC1
InChIInChI=1S/C20H25ClN4/c1-23-8-10-24(11-9-23)14-18-4-6-22-13-20(18)25-7-5-16-12-19(21)3-2-17(16)15-25/h2-4,6,12-13H,5,7-11,14-15H2,1H3
InChIKeyRIEZJPQUDBUTPE-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.05
Rot. Bonds3

About 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 141362668) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID141362668
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCN(Cc2ccncc2N2CCc3cc(Cl)ccc3C2)CC1
InChIInChI=1S/C20H25ClN4/c1-23-8-10-24(11-9-23)14-18-4-6-22-13-20(18)25-7-5-16-12-19(21)3-2-17(16)15-25/h2-4,6,12-13H,5,7-11,14-15H2,1H3
InChIKeyRIEZJPQUDBUTPE-UHFFFAOYSA-N
XLogP3.05
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol
CID 154934896
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 142721207
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
6-chloro-2-[5-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 140609204
1-[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-N-methylethanamine
CID 154053076
2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 69473036
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-1,3,4-thiadiazole
CID 122145243
3-[[5-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 141362696

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 141362668) is 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is CN1CCN(Cc2ccncc2N2CCc3cc(Cl)ccc3C2)CC1.
What is the InChIKey of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is RIEZJPQUDBUTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4/c1-23-8-10-24(11-9-23)14-18-4-6-22-13-20(18)25-7-5-16-12-19(21)3-2-17(16)15-25/h2-4,6,12-13H,5,7-11,14-15H2,1H3.
What are the key properties of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 356.90 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141362668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).