6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline

C19H18N4O3 — CID 143198853

IUPAC6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
SMILESCOc1cc2nncc(N3CCc4ccc(N=O)cc4C3)c2cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-18-8-15-16(9-19(18)26-2)21-20-10-17(15)23-6-5-12-3-4-14(22-24)7-13(12)11-23/h3-4,7-10H,5-6,11H2,1-2H3
InChIKeyRMVOXSTZBYFGDO-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.61
Rot. Bonds4

About 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline

6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline (PubChem CID 143198853) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
PubChem CID143198853
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
SMILESCOc1cc2nncc(N3CCc4ccc(N=O)cc4C3)c2cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-18-8-15-16(9-19(18)26-2)21-20-10-17(15)23-6-5-12-3-4-14(22-24)7-13(12)11-23/h3-4,7-10H,5-6,11H2,1-2H3
InChIKeyRMVOXSTZBYFGDO-UHFFFAOYSA-N
XLogP3.61
TPSA76.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline with MolForge

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Related Compounds

methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 11501765
1-[7-methoxy-4-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]cinnolin-6-yl]ethanol
CID 70325819
4-(6,7-dimethoxycinnolin-4-yl)morpholine
CID 58674716
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate
CID 143198878
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine
CID 24748469
1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 69186068
6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 21416702
1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
CID 24748467
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline?
The IUPAC name of 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline (CID 143198853) is 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline.
What is the SMILES notation for 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline?
The canonical SMILES for 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline is COc1cc2nncc(N3CCc4ccc(N=O)cc4C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline?
The InChIKey is RMVOXSTZBYFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-18-8-15-16(9-19(18)26-2)21-20-10-17(15)23-6-5-12-3-4-14(22-24)7-13(12)11-23/h3-4,7-10H,5-6,11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline?
6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline has a molecular weight of 350.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline is sourced from PubChem (CID 143198853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).