5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide

C18H17ClN4O3 — CID 133325177

About 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide

5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide (PubChem CID 133325177) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
• PubChem CID: 133325177
• Molecular Formula: C18H17ClN4O3
• Molecular Weight: 372.81 g/mol
• Exact Mass: 372.10
• IUPAC Name: 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
• SMILES: NC(=O)c1cnc(N2CCc3c(cccc3N3CCOC3=O)C2)c(Cl)c1
• InChI: InChI=1S/C18H17ClN4O3/c19-14-8-12(16(20)24)9-21-17(14)22-5-4-13-11(10-22)2-1-3-15(13)23-6-7-26-18(23)25/h1-3,8-9H,4-7,10H2,(H2,20,24)
• InChIKey: QCTIHLAKUSEUCR-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 88.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.81
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide (CID 133325177) is 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide is NC(=O)c1cnc(N2CCc3c(cccc3N3CCOC3=O)C2)c(Cl)c1.

What is the InChIKey of 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?

The InChIKey is QCTIHLAKUSEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-14-8-12(16(20)24)9-21-17(14)22-5-4-13-11(10-22)2-1-3-15(13)23-6-7-26-18(23)25/h1-3,8-9H,4-7,10H2,(H2,20,24).

What are the key properties of 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?

5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133325177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).