7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

C25H28N4O3 — CID 137257288

IUPAC7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOCCC4C)c23)c(C)n1
InChIInChI=1S/C25H28N4O3/c1-14-7-9-32-10-8-21(14)29-24-18-6-5-17(12-20(18)28-25(30)19(24)13-26-29)23-15(2)11-22(31-4)27-16(23)3/h5-6,11-14,21H,7-10H2,1-4H3,(H,28,30)
InChIKeyOWKVSZLNFMXOLA-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.55
Rot. Bonds3

About 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 137257288) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID137257288
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOCCC4C)c23)c(C)n1
InChIInChI=1S/C25H28N4O3/c1-14-7-9-32-10-8-21(14)29-24-18-6-5-17(12-20(18)28-25(30)19(24)13-26-29)23-15(2)11-22(31-4)27-16(23)3/h5-6,11-14,21H,7-10H2,1-4H3,(H,28,30)
InChIKeyOWKVSZLNFMXOLA-UHFFFAOYSA-N
XLogP4.55
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 137257288) is 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOCCC4C)c23)c(C)n1.
What is the InChIKey of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is OWKVSZLNFMXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-14-7-9-32-10-8-21(14)29-24-18-6-5-17(12-20(18)28-25(30)19(24)13-26-29)23-15(2)11-22(31-4)27-16(23)3/h5-6,11-14,21H,7-10H2,1-4H3,(H,28,30).
What are the key properties of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 432.52 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 137257288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).