1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone

C22H21N3O2 — CID 170351391

IUPAC1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2cc3cc(-c4ccccc4O)nnc3cc2C2CC2)C1
InChIInChI=1S/C22H21N3O2/c1-13(26)25-11-16(12-25)18-8-15-9-21(17-4-2-3-5-22(17)27)24-23-20(15)10-19(18)14-6-7-14/h2-5,8-10,14,16,27H,6-7,11-12H2,1H3
InChIKeyPHQKKHYIVCKFNZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.83
Rot. Bonds3

About 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone

1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone (PubChem CID 170351391) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone
PubChem CID170351391
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2cc3cc(-c4ccccc4O)nnc3cc2C2CC2)C1
InChIInChI=1S/C22H21N3O2/c1-13(26)25-11-16(12-25)18-8-15-9-21(17-4-2-3-5-22(17)27)24-23-20(15)10-19(18)14-6-7-14/h2-5,8-10,14,16,27H,6-7,11-12H2,1H3
InChIKeyPHQKKHYIVCKFNZ-UHFFFAOYSA-N
XLogP3.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]piperidin-1-yl]ethanone
CID 163374374
1-[3-[5-bromo-3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]ethanone
CID 170549818
1-[3-[[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]sulfonyl]azetidin-1-yl]ethanone
CID 167081119
2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-2-oxoacetic acid
CID 163374448
1-[(1S,5R)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 137277893
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
CID 137045885
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]propan-1-one
CID 163374468
2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
CID 170350851
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
1-[3-[4-amino-5-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-2-chlorophenyl]azetidin-1-yl]ethanone
CID 170578167
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023632
2-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
CID 163374336

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone (CID 170351391) is 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(c2cc3cc(-c4ccccc4O)nnc3cc2C2CC2)C1.
What is the InChIKey of 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone?
The InChIKey is PHQKKHYIVCKFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13(26)25-11-16(12-25)18-8-15-9-21(17-4-2-3-5-22(17)27)24-23-20(15)10-19(18)14-6-7-14/h2-5,8-10,14,16,27H,6-7,11-12H2,1H3.
What are the key properties of 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone?
1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 170351391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).