methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate

C21H21N3O4 — CID 11501765

IUPACmethyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN(c1cnnc3cc(OC)c(OC)cc13)C2
InChIInChI=1S/C21H21N3O4/c1-26-19-9-16-17(10-20(19)27-2)23-22-11-18(16)24-7-6-13-8-14(21(25)28-3)4-5-15(13)12-24/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyYONRJCKACFAXFG-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.00
Rot. Bonds4

About methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate

methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate (PubChem CID 11501765) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
PubChem CID11501765
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Namemethyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN(c1cnnc3cc(OC)c(OC)cc13)C2
InChIInChI=1S/C21H21N3O4/c1-26-19-9-16-17(10-20(19)27-2)23-22-11-18(16)24-7-6-13-8-14(21(25)28-3)4-5-15(13)12-24/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyYONRJCKACFAXFG-UHFFFAOYSA-N
XLogP3.00
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate with MolForge

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Related Compounds

6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
CID 143198853
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate
CID 143198878
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
4-(6,7-dimethoxycinnolin-4-yl)morpholine
CID 58674716
1-[7-methoxy-4-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]cinnolin-6-yl]ethanol
CID 70325819
methyl 2-(2-methyl-3-phenylphenyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 135146922
methyl 2-(1-amino-1-oxopropan-2-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582500
methyl 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 58959738
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 69186068
(7-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-methylborinic acid
CID 156679995

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate?
The IUPAC name of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate (CID 11501765) is methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate?
The canonical SMILES for methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CCN(c1cnnc3cc(OC)c(OC)cc13)C2.
What is the InChIKey of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate?
The InChIKey is YONRJCKACFAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-19-9-16-17(10-20(19)27-2)23-22-11-18(16)24-7-6-13-8-14(21(25)28-3)4-5-15(13)12-24/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate?
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate is sourced from PubChem (CID 11501765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).