5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

C24H29N5O3S — CID 5310050

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(CC(C)(C)C)nc2n(C)c1=O
InChIInChI=1S/C24H29N5O3S/c1-24(2,3)13-17-25-20-19(22(31)28(5)23(32)27(20)4)21(26-17)33-14-18(30)29-12-8-10-15-9-6-7-11-16(15)29/h6-7,9,11H,8,10,12-14H2,1-5H3
InChIKeySIYIYCIGFPLCEH-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.69
Rot. Bonds4

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 5310050) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID5310050
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(CC(C)(C)C)nc2n(C)c1=O
InChIInChI=1S/C24H29N5O3S/c1-24(2,3)13-17-25-20-19(22(31)28(5)23(32)27(20)4)21(26-17)33-14-18(30)29-12-8-10-15-9-6-7-11-16(15)29/h6-7,9,11H,8,10,12-14H2,1-5H3
InChIKeySIYIYCIGFPLCEH-UHFFFAOYSA-N
XLogP2.69
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 5310050) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(CC(C)(C)C)nc2n(C)c1=O.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is SIYIYCIGFPLCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-24(2,3)13-17-25-20-19(22(31)28(5)23(32)27(20)4)21(26-17)33-14-18(30)29-12-8-10-15-9-6-7-11-16(15)29/h6-7,9,11H,8,10,12-14H2,1-5H3.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 467.60 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-(2,2-dimethylpropyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 5310050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).