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

C24H26N4O3 — CID 136932996

IUPAC7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@H]4C)c23)c(C)n1
InChIInChI=1S/C24H26N4O3/c1-13-9-21(30-4)26-15(3)22(13)16-5-6-17-19(10-16)27-24(29)18-11-25-28(23(17)18)20-7-8-31-12-14(20)2/h5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t14-,20-/m1/s1
InChIKeyVOKJPBAWFHPOKB-JLTOFOAXSA-N
MW418.50 g/mol
LogP4.16
Rot. Bonds3

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

7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136932996) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136932996
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@H]4C)c23)c(C)n1
InChIInChI=1S/C24H26N4O3/c1-13-9-21(30-4)26-15(3)22(13)16-5-6-17-19(10-16)27-24(29)18-11-25-28(23(17)18)20-7-8-31-12-14(20)2/h5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t14-,20-/m1/s1
InChIKeyVOKJPBAWFHPOKB-JLTOFOAXSA-N
XLogP4.16
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.16
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-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136932996) is 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-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-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@H]4C)c23)c(C)n1.
What is the InChIKey of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VOKJPBAWFHPOKB-JLTOFOAXSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-13-9-21(30-4)26-15(3)22(13)16-5-6-17-19(10-16)27-24(29)18-11-25-28(23(17)18)20-7-8-31-12-14(20)2/h5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t14-,20-/m1/s1.
What are the key properties of 7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 418.50 g/mol, XLogP of 4.16, 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-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136932996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).