9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide

C22H16N6O3 — CID 174590872

IUPAC9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc5ncccc45)nc32)c1
InChIInChI=1S/C22H16N6O3/c1-31-13-6-2-5-12(11-13)28-21-18(26-22(28)30)17(19(23)29)25-20(27-21)15-7-3-9-16-14(15)8-4-10-24-16/h2-11H,1H3,(H2,23,29)(H,26,30)
InChIKeyMNVVADOUBZVKMT-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.43
Rot. Bonds4

About 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide

9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide (PubChem CID 174590872) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide
PubChem CID174590872
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC Name9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc5ncccc45)nc32)c1
InChIInChI=1S/C22H16N6O3/c1-31-13-6-2-5-12(11-13)28-21-18(26-22(28)30)17(19(23)29)25-20(27-21)15-7-3-9-16-14(15)8-4-10-24-16/h2-11H,1H3,(H2,23,29)(H,26,30)
InChIKeyMNVVADOUBZVKMT-UHFFFAOYSA-N
XLogP2.43
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1H-indazol-4-yl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 174590665
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
2-(2-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422841
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
9-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603324
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297
2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
9-(3-methoxyphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide
CID 7599602
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603359
9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680395
2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 18582767
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide?
The IUPAC name of 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide (CID 174590872) is 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide is COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc5ncccc45)nc32)c1.
What is the InChIKey of 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide?
The InChIKey is MNVVADOUBZVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c1-31-13-6-2-5-12(11-13)28-21-18(26-22(28)30)17(19(23)29)25-20(27-21)15-7-3-9-16-14(15)8-4-10-24-16/h2-11H,1H3,(H2,23,29)(H,26,30).
What are the key properties of 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide?
9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxyphenyl)-8-oxo-2-quinolin-5-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 174590872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).