8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one

C23H28N4O4 — CID 86767184

IUPAC8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCOCC1CN(C(=O)C2C=C3C(=NC(=O)c4cnn(C5CCOCC5)c43)C=C2C)C1
InChIInChI=1S/C23H28N4O4/c1-3-30-13-15-11-26(12-15)23(29)17-9-18-20(8-14(17)2)25-22(28)19-10-24-27(21(18)19)16-4-6-31-7-5-16/h8-10,15-17H,3-7,11-13H2,1-2H3
InChIKeyVYFLNVVONXLIDZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.28
Rot. Bonds5

About 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one

8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767184) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767184
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCOCC1CN(C(=O)C2C=C3C(=NC(=O)c4cnn(C5CCOCC5)c43)C=C2C)C1
InChIInChI=1S/C23H28N4O4/c1-3-30-13-15-11-26(12-15)23(29)17-9-18-20(8-14(17)2)25-22(28)19-10-24-27(21(18)19)16-4-6-31-7-5-16/h8-10,15-17H,3-7,11-13H2,1-2H3
InChIKeyVYFLNVVONXLIDZ-UHFFFAOYSA-N
XLogP2.28
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767184) is 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is CCOCC1CN(C(=O)C2C=C3C(=NC(=O)c4cnn(C5CCOCC5)c43)C=C2C)C1.
What is the InChIKey of 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VYFLNVVONXLIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-30-13-15-11-26(12-15)23(29)17-9-18-20(8-14(17)2)25-22(28)19-10-24-27(21(18)19)16-4-6-31-7-5-16/h8-10,15-17H,3-7,11-13H2,1-2H3.
What are the key properties of 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 424.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).