1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione

C20H22N3O3+ — CID 78578039

IUPAC1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCOc1ccc(-c2cc[nH+]c3c2c(=O)[nH]c(=O)n3C2CCCCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-15-9-7-13(8-10-15)16-11-12-21-18-17(16)19(24)22-20(25)23(18)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,24,25)/p+1
InChIKeyCVFRLBAWZVEAOV-UHFFFAOYSA-O
MW352.41 g/mol
LogP2.68
Rot. Bonds3

About 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione

1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione (PubChem CID 78578039) has the molecular formula C20H22N3O3+ and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
PubChem CID78578039
Molecular FormulaC20H22N3O3+
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCOc1ccc(-c2cc[nH+]c3c2c(=O)[nH]c(=O)n3C2CCCCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-15-9-7-13(8-10-15)16-11-12-21-18-17(16)19(24)22-20(25)23(18)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,24,25)/p+1
InChIKeyCVFRLBAWZVEAOV-UHFFFAOYSA-O
XLogP2.68
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-3-cyclohexyl-7-(4-methoxyanilino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 39847813
3-chloro-1-cyclododecyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583180
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732
1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580936
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702
4-cyclohexyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 78762729
1-cyclohexyl-5-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 135969974
1-cyclohexyl-5-[(5R)-5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804491
3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
CID 145484781
1-cyclohexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556472

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione (CID 78578039) is 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione is COc1ccc(-c2cc[nH+]c3c2c(=O)[nH]c(=O)n3C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The InChIKey is CVFRLBAWZVEAOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O3/c1-26-15-9-7-13(8-10-15)16-11-12-21-18-17(16)19(24)22-20(25)23(18)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,24,25)/p+1.
What are the key properties of 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione has a molecular weight of 352.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione is sourced from PubChem (CID 78578039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).