5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C37H38N6O10 — CID 101065350

IUPAC5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(OCCCOc3cc(-c4ccc(OC)c(OC)c4)c4c(=O)n(C)c(=O)n(C)c4n3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C37H38N6O10/c1-40-32-30(34(44)42(3)36(40)46)22(20-10-12-24(48-5)26(16-20)50-7)18-28(38-32)52-14-9-15-53-29-19-23(21-11-13-25(49-6)27(17-21)51-8)31-33(39-29)41(2)37(47)43(4)35(31)45/h10-13,16-19H,9,14-15H2,1-8H3
InChIKeyQAJAKIVPWRDQKD-UHFFFAOYSA-N
MW726.74 g/mol
LogP2.79
Rot. Bonds12

About 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 101065350) has the molecular formula C37H38N6O10 and a molecular weight of 726.74 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID101065350
Molecular FormulaC37H38N6O10
Molecular Weight726.74 g/mol
Exact Mass726.26
IUPAC Name5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(OCCCOc3cc(-c4ccc(OC)c(OC)c4)c4c(=O)n(C)c(=O)n(C)c4n3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C37H38N6O10/c1-40-32-30(34(44)42(3)36(40)46)22(20-10-12-24(48-5)26(16-20)50-7)18-28(38-32)52-14-9-15-53-29-19-23(21-11-13-25(49-6)27(17-21)51-8)31-33(39-29)41(2)37(47)43(4)35(31)45/h10-13,16-19H,9,14-15H2,1-8H3
InChIKeyQAJAKIVPWRDQKD-UHFFFAOYSA-N
XLogP2.79
TPSA169.16 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-methylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 7199611
7-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 40864261
N-tert-butyl-2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 40864047
2-methylpropyl 5-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 73485187
ethyl 2-[[2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetyl]amino]acetate
CID 40864187
2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40864130
2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N,N-dimethyl-3-oxobutanamide
CID 18561750
N-benzyl-2-[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 40864191
7-amino-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476622
methyl 5-[[7-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylmethyl]furan-2-carboxylate
CID 40864272
8-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 42631506
8-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 42631614

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 101065350) is 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2cc(OCCCOc3cc(-c4ccc(OC)c(OC)c4)c4c(=O)n(C)c(=O)n(C)c4n3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QAJAKIVPWRDQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N6O10/c1-40-32-30(34(44)42(3)36(40)46)22(20-10-12-24(48-5)26(16-20)50-7)18-28(38-32)52-14-9-15-53-29-19-23(21-11-13-25(49-6)27(17-21)51-8)31-33(39-29)41(2)37(47)43(4)35(31)45/h10-13,16-19H,9,14-15H2,1-8H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 726.74 g/mol, XLogP of 2.79, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-7-[3-[5-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl]oxypropoxy]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 101065350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).