7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline

C18H26ClNO3 — CID 121301684

IUPAC7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline
SMILESCOCCCOc1cc2c(cc1Cl)C=NC(C(C)(C)COC)C2
InChIInChI=1S/C18H26ClNO3/c1-18(2,12-22-4)17-10-13-9-16(23-7-5-6-21-3)15(19)8-14(13)11-20-17/h8-9,11,17H,5-7,10,12H2,1-4H3
InChIKeyPJSFNCDLMDLSRV-UHFFFAOYSA-N
MW339.86 g/mol
LogP3.77
Rot. Bonds8

About 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline

7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline (PubChem CID 121301684) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline
PubChem CID121301684
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline
SMILESCOCCCOc1cc2c(cc1Cl)C=NC(C(C)(C)COC)C2
InChIInChI=1S/C18H26ClNO3/c1-18(2,12-22-4)17-10-13-9-16(23-7-5-6-21-3)15(19)8-14(13)11-20-17/h8-9,11,17H,5-7,10,12H2,1-4H3
InChIKeyPJSFNCDLMDLSRV-UHFFFAOYSA-N
XLogP3.77
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(3-methoxypropoxy)-7,8,9,10,11,11a-hexahydro-6aH-cyclohepta[c]isoquinoline
CID 126538018
7-chloro-6-(3-methoxypropoxy)spiro[4H-isoquinoline-3,1'-cyclobutane]
CID 135313944
7-chloro-8-(3-methoxypropoxy)-3,3-dimethyl-1,2,3a,9b-tetrahydrocyclopenta[c]isoquinoline
CID 130338749
(9bS)-7-chloro-8-(3-methoxypropoxy)-3,3-dimethyl-1,2,3a,9b-tetrahydrocyclopenta[c]isoquinoline
CID 130354864
6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
CID 123339931
6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-3-pyrimidin-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 139462475
6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline
CID 138672844
3-acetyl-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 135132542
(6S)-3-acetyl-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 135132545
(6S)-10-chloro-9-(3-hydroxypropoxy)-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 130195045
6-tert-butyl-10-chloro-1-isocyano-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 140879827
(3R)-3-tert-butyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 125474210

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline (CID 121301684) is 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline is COCCCOc1cc2c(cc1Cl)C=NC(C(C)(C)COC)C2.
What is the InChIKey of 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline?
The InChIKey is PJSFNCDLMDLSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-18(2,12-22-4)17-10-13-9-16(23-7-5-6-21-3)15(19)8-14(13)11-20-17/h8-9,11,17H,5-7,10,12H2,1-4H3.
What are the key properties of 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline?
7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline has a molecular weight of 339.86 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1-methoxy-2-methylpropan-2-yl)-6-(3-methoxypropoxy)-3,4-dihydroisoquinoline is sourced from PubChem (CID 121301684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).