ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate

C22H33ClN2O4Si — CID 70667113

About ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate

ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 70667113) has the molecular formula C22H33ClN2O4Si and a molecular weight of 453.06 g/mol. Its IUPAC name is ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate
• PubChem CID: 70667113
• Molecular Formula: C22H33ClN2O4Si
• Molecular Weight: 453.06 g/mol
• Exact Mass: 452.19
• IUPAC Name: ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn([C@H](CCC(C)(C)[Si](C)(C)O)C(C)C)c2cc(Cl)cnc2c1=O
• InChI: InChI=1S/C22H33ClN2O4Si/c1-8-29-21(27)16-13-25(18-11-15(23)12-24-19(18)20(16)26)17(14(2)3)9-10-22(4,5)30(6,7)28/h11-14,17,28H,8-10H2,1-7H3/t17-/m1/s1
• InChIKey: RHTBYUDAMVTPOB-QGZVFWFLSA-N
• XLogP: 5.18
• TPSA: 81.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.06
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate (CID 70667113) is ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cn([C@H](CCC(C)(C)[Si](C)(C)O)C(C)C)c2cc(Cl)cnc2c1=O.

What is the InChIKey of ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate?

The InChIKey is RHTBYUDAMVTPOB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33ClN2O4Si/c1-8-29-21(27)16-13-25(18-11-15(23)12-24-19(18)20(16)26)17(14(2)3)9-10-22(4,5)30(6,7)28/h11-14,17,28H,8-10H2,1-7H3/t17-/m1/s1.

What are the key properties of ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate?

ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 453.06 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-chloro-1-[(3R)-6-[hydroxy(dimethyl)silyl]-2,6-dimethylheptan-3-yl]-4-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 70667113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).