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

C24H26N4O3 — CID 136933007

IUPAC7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1nc(C)cc(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn([C@@H]3CCOC[C@@H]3C)c12
InChIInChI=1S/C24H26N4O3/c1-13-9-15(3)26-24(30-4)21(13)16-5-6-17-19(10-16)27-23(29)18-11-25-28(22(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+/m0/s1
InChIKeyGKZMOOORTHYUEJ-VBKZILBWSA-N
MW418.50 g/mol
LogP4.16
Rot. Bonds3

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

7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136933007) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136933007
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1nc(C)cc(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn([C@@H]3CCOC[C@@H]3C)c12
InChIInChI=1S/C24H26N4O3/c1-13-9-15(3)26-24(30-4)21(13)16-5-6-17-19(10-16)27-23(29)18-11-25-28(22(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+/m0/s1
InChIKeyGKZMOOORTHYUEJ-VBKZILBWSA-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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Related Compounds

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
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137257288
7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid
CID 136987510
7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136597874
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505497
1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136627819
3-methanimidoyl-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-4-[(3-methylideneoxan-4-yl)amino]-1H-quinolin-2-one
CID 137257357
8-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505772
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619104
8-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505829
8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505783
8-bromo-1-cyclopentyl-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505471

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136933007) is 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is COc1nc(C)cc(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn([C@@H]3CCOC[C@@H]3C)c12.
What is the InChIKey of 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is GKZMOOORTHYUEJ-VBKZILBWSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-13-9-15(3)26-24(30-4)21(13)16-5-6-17-19(10-16)27-23(29)18-11-25-28(22(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+/m0/s1.
What are the key properties of 7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,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-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136933007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).