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

C20H25ClN4O — CID 154934896

IUPAC6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol
SMILESCN1CCN(Cc2ccncc2N2CCc3cc(Cl)ccc3C2O)CC1
InChIInChI=1S/C20H25ClN4O/c1-23-8-10-24(11-9-23)14-16-4-6-22-13-19(16)25-7-5-15-12-17(21)2-3-18(15)20(25)26/h2-4,6,12-13,20,26H,5,7-11,14H2,1H3
InChIKeyKOFOOGRAVYOCAO-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.54
Rot. Bonds3

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

6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol (PubChem CID 154934896) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol.

Molecular Properties

Compound Name6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol
PubChem CID154934896
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol
SMILESCN1CCN(Cc2ccncc2N2CCc3cc(Cl)ccc3C2O)CC1
InChIInChI=1S/C20H25ClN4O/c1-23-8-10-24(11-9-23)14-16-4-6-22-13-19(16)25-7-5-15-12-17(21)2-3-18(15)20(25)26/h2-4,6,12-13,20,26H,5,7-11,14H2,1H3
InChIKeyKOFOOGRAVYOCAO-UHFFFAOYSA-N
XLogP2.54
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 141362668
6-chloro-2-[5-[(1,1-dioxothiazinan-2-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol
CID 154934812
5-chloro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenol
CID 118140549
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788
1-[4-(chloromethyl)-3-pyridinyl]-4-methyl-2-phenylpiperazine
CID 105067246
1,2-diethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721608
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
CID 42851810
[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787683
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656
7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
CID 123684098
1-[[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine;dihydrochloride
CID 74889821

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol?
The IUPAC name of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol (CID 154934896) is 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol.
What is the SMILES notation for 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol?
The canonical SMILES for 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol is CN1CCN(Cc2ccncc2N2CCc3cc(Cl)ccc3C2O)CC1.
What is the InChIKey of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol?
The InChIKey is KOFOOGRAVYOCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-23-8-10-24(11-9-23)14-16-4-6-22-13-19(16)25-7-5-15-12-17(21)2-3-18(15)20(25)26/h2-4,6,12-13,20,26H,5,7-11,14H2,1H3.
What are the key properties of 6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol?
6-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-1-ol has a molecular weight of 372.90 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-isoquinolin-1-ol is sourced from PubChem (CID 154934896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).