N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide

C17H21N3O3 — CID 131682929

About N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide

N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide (PubChem CID 131682929) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
• PubChem CID: 131682929
• Molecular Formula: C17H21N3O3
• Molecular Weight: 315.37 g/mol
• Exact Mass: 315.16
• IUPAC Name: N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
• SMILES: COCCn1c2c(ccc1=O)CC(NC(=O)c1cc[nH]c1)CC2
• InChI: InChI=1S/C17H21N3O3/c1-23-9-8-20-15-4-3-14(10-12(15)2-5-16(20)21)19-17(22)13-6-7-18-11-13/h2,5-7,11,14,18H,3-4,8-10H2,1H3,(H,19,22)
• InChIKey: DRBFKHKVMQQORU-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 76.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.37
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide (CID 131682929) is N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide is COCCn1c2c(ccc1=O)CC(NC(=O)c1cc[nH]c1)CC2.

What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide?

The InChIKey is DRBFKHKVMQQORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-9-8-20-15-4-3-14(10-12(15)2-5-16(20)21)19-17(22)13-6-7-18-11-13/h2,5-7,11,14,18H,3-4,8-10H2,1H3,(H,19,22).

What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide?

N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131682929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).