1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol

C23H27N3O4 — CID 70315724

IUPAC1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol
SMILESCOCCOc1cccc2c1CCN(c1ncnc3cc(OC)c(C(C)O)cc13)C2
InChIInChI=1S/C23H27N3O4/c1-15(27)18-11-19-20(12-22(18)29-3)24-14-25-23(19)26-8-7-17-16(13-26)5-4-6-21(17)30-10-9-28-2/h4-6,11-12,14-15,27H,7-10,13H2,1-3H3
InChIKeyIBMJJVYTUVCRMA-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.28
Rot. Bonds7

About 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol

1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol (PubChem CID 70315724) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol.

Molecular Properties

Compound Name1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol
PubChem CID70315724
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol
SMILESCOCCOc1cccc2c1CCN(c1ncnc3cc(OC)c(C(C)O)cc13)C2
InChIInChI=1S/C23H27N3O4/c1-15(27)18-11-19-20(12-22(18)29-3)24-14-25-23(19)26-8-7-17-16(13-26)5-4-6-21(17)30-10-9-28-2/h4-6,11-12,14-15,27H,7-10,13H2,1-3H3
InChIKeyIBMJJVYTUVCRMA-UHFFFAOYSA-N
XLogP3.28
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol with MolForge

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
1-[6-(6,7-dimethoxyquinazolin-4-yl)-4,5,7,8-tetrahydro-1H-pyrido[4,3-c]pyridazin-3-yl]ethanol;ethane
CID 143413852
methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone
CID 160954268
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide
CID 91607619
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
[5-chloro-6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133450569
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol?
The IUPAC name of 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol (CID 70315724) is 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol.
What is the SMILES notation for 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol?
The canonical SMILES for 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol is COCCOc1cccc2c1CCN(c1ncnc3cc(OC)c(C(C)O)cc13)C2.
What is the InChIKey of 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol?
The InChIKey is IBMJJVYTUVCRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15(27)18-11-19-20(12-22(18)29-3)24-14-25-23(19)26-8-7-17-16(13-26)5-4-6-21(17)30-10-9-28-2/h4-6,11-12,14-15,27H,7-10,13H2,1-3H3.
What are the key properties of 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol?
1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol has a molecular weight of 409.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol is sourced from PubChem (CID 70315724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).