ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

C24H27N5O4S — CID 53375139

About ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 53375139) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
• PubChem CID: 53375139
• Molecular Formula: C24H27N5O4S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.18
• IUPAC Name: ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(c2ncnc3c2CN(S(=O)(=O)c2ccc4cccnc4c2)CC3)CC1
• InChI: InChI=1S/C24H27N5O4S/c1-2-33-24(30)18-7-11-28(12-8-18)23-20-15-29(13-9-21(20)26-16-27-23)34(31,32)19-6-5-17-4-3-10-25-22(17)14-19/h3-6,10,14,16,18H,2,7-9,11-13,15H2,1H3
• InChIKey: YBDZFXLRZPJKFS-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 105.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?

The IUPAC name of ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate (CID 53375139) is ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3c2CN(S(=O)(=O)c2ccc4cccnc4c2)CC3)CC1.

What is the InChIKey of ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?

The InChIKey is YBDZFXLRZPJKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-2-33-24(30)18-7-11-28(12-8-18)23-20-15-29(13-9-21(20)26-16-27-23)34(31,32)19-6-5-17-4-3-10-25-22(17)14-19/h3-6,10,14,16,18H,2,7-9,11-13,15H2,1H3.

What are the key properties of ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?

ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 481.58 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(6-quinolin-7-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 53375139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).