6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline

C16H23N5O4S — CID 163275175

IUPAC6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline
SMILESCOc1cc2nncc(N3CC(C)(CCNS(N)(=O)=O)C3)c2cc1OC
InChIInChI=1S/C16H23N5O4S/c1-16(4-5-19-26(17,22)23)9-21(10-16)13-8-18-20-12-7-15(25-3)14(24-2)6-11(12)13/h6-8,19H,4-5,9-10H2,1-3H3,(H2,17,22,23)
InChIKeyUNUYEPVPAUSWEU-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.66
Rot. Bonds7

About 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline

6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline (PubChem CID 163275175) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline
PubChem CID163275175
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline
SMILESCOc1cc2nncc(N3CC(C)(CCNS(N)(=O)=O)C3)c2cc1OC
InChIInChI=1S/C16H23N5O4S/c1-16(4-5-19-26(17,22)23)9-21(10-16)13-8-18-20-12-7-15(25-3)14(24-2)6-11(12)13/h6-8,19H,4-5,9-10H2,1-3H3,(H2,17,22,23)
InChIKeyUNUYEPVPAUSWEU-UHFFFAOYSA-N
XLogP0.66
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6,7-dimethoxycinnolin-4-yl)morpholine
CID 58674716
1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 69186068
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 11501765
6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
CID 143198853
N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
CID 164966824
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4,7,8-tetrahydro-1H-isoquinoline-5-carboxylate
CID 143198878
6,7-dimethoxy-4-methylcinnoline;propane
CID 163274775
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
2-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methylazetidin-3-yl]ethylboronic acid
CID 163275324
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
6,7-dimethoxy-1-oxo-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]-2H-isoquinoline
CID 163275437
1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
CID 24748467

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline?
The IUPAC name of 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline (CID 163275175) is 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline.
What is the SMILES notation for 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline?
The canonical SMILES for 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline is COc1cc2nncc(N3CC(C)(CCNS(N)(=O)=O)C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline?
The InChIKey is UNUYEPVPAUSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-16(4-5-19-26(17,22)23)9-21(10-16)13-8-18-20-12-7-15(25-3)14(24-2)6-11(12)13/h6-8,19H,4-5,9-10H2,1-3H3,(H2,17,22,23).
What are the key properties of 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline?
6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline has a molecular weight of 381.46 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline is sourced from PubChem (CID 163275175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).