methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate

C21H23N3O4 — CID 143198878

IUPACmethyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate
SMILESCOC(=O)C1=CCCC2=C1CCN(c1cnnc3cc(OC)c(OC)cc13)C2
InChIInChI=1S/C21H23N3O4/c1-26-19-9-16-17(10-20(19)27-2)23-22-11-18(16)24-8-7-14-13(12-24)5-4-6-15(14)21(25)28-3/h6,9-11H,4-5,7-8,12H2,1-3H3
InChIKeyBIURUHKWFWJJBX-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.05
Rot. Bonds4

About methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate

methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate (PubChem CID 143198878) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate
PubChem CID143198878
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate
SMILESCOC(=O)C1=CCCC2=C1CCN(c1cnnc3cc(OC)c(OC)cc13)C2
InChIInChI=1S/C21H23N3O4/c1-26-19-9-16-17(10-20(19)27-2)23-22-11-18(16)24-8-7-14-13(12-24)5-4-6-15(14)21(25)28-3/h6,9-11H,4-5,7-8,12H2,1-3H3
InChIKeyBIURUHKWFWJJBX-UHFFFAOYSA-N
XLogP3.05
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate with MolForge

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Related Compounds

methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 11501765
4-(6,7-dimethoxycinnolin-4-yl)morpholine
CID 58674716
6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
CID 143198853
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601
4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine
CID 24748469
6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline
CID 163275175
N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide
CID 24748322
1-[7-methoxy-4-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]cinnolin-6-yl]ethanol
CID 70325819
1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
CID 24748467
1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 69186068
6,7-dimethoxy-4-(4-piperazin-1-ylindazol-1-yl)cinnoline
CID 24748431
1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide
CID 11553710

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate?
The IUPAC name of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate (CID 143198878) is methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate.
What is the SMILES notation for methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate?
The canonical SMILES for methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate is COC(=O)C1=CCCC2=C1CCN(c1cnnc3cc(OC)c(OC)cc13)C2.
What is the InChIKey of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate?
The InChIKey is BIURUHKWFWJJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-19-9-16-17(10-20(19)27-2)23-22-11-18(16)24-8-7-14-13(12-24)5-4-6-15(14)21(25)28-3/h6,9-11H,4-5,7-8,12H2,1-3H3.
What are the key properties of methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate?
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.05, 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)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate is sourced from PubChem (CID 143198878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).