2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride

C19H20Cl2N2O — CID 167516078

IUPAC2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride
SMILESCOc1cc2c(cc1Cc1ccc3ccccc3n1)CNC2.Cl.Cl
InChIInChI=1S/C19H18N2O.2ClH/c1-22-19-10-16-12-20-11-15(16)8-14(19)9-17-7-6-13-4-2-3-5-18(13)21-17;;/h2-8,10,20H,9,11-12H2,1H3;2*1H
InChIKeyZKWDDRZNLVZLLV-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.28
Rot. Bonds3

About 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride

2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride (PubChem CID 167516078) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride
PubChem CID167516078
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride
SMILESCOc1cc2c(cc1Cc1ccc3ccccc3n1)CNC2.Cl.Cl
InChIInChI=1S/C19H18N2O.2ClH/c1-22-19-10-16-12-20-11-15(16)8-14(19)9-17-7-6-13-4-2-3-5-18(13)21-17;;/h2-8,10,20H,9,11-12H2,1H3;2*1H
InChIKeyZKWDDRZNLVZLLV-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride with MolForge

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Related Compounds

2-[[6,13,20-trimethoxy-12,19-bis(quinolin-2-ylmethyl)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]methyl]quinoline
CID 102441381
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
CID 83957041
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
3-fluoro-4-(quinolin-2-ylmethyl)phenol
CID 83129838
2-(2-methoxyethyl)quinoline
CID 129321824
2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-methoxy-5-(quinolin-2-ylmethylamino)phenol
CID 64955663
3-chloro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774802
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride?
The IUPAC name of 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride (CID 167516078) is 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride is COc1cc2c(cc1Cc1ccc3ccccc3n1)CNC2.Cl.Cl.
What is the InChIKey of 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride?
The InChIKey is ZKWDDRZNLVZLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.2ClH/c1-22-19-10-16-12-20-11-15(16)8-14(19)9-17-7-6-13-4-2-3-5-18(13)21-17;;/h2-8,10,20H,9,11-12H2,1H3;2*1H.
What are the key properties of 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride?
2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride is sourced from PubChem (CID 167516078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).