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

C18H21N3O2 — CID 131683102

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

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide (PubChem CID 131683102) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
• PubChem CID: 131683102
• Molecular Formula: C18H21N3O2
• Molecular Weight: 311.38 g/mol
• Exact Mass: 311.16
• IUPAC Name: N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
• SMILES: O=C(NC1CCc2c(ccc(=O)n2CC2CC2)C1)c1cc[nH]c1
• InChI: InChI=1S/C18H21N3O2/c22-17-6-3-13-9-15(20-18(23)14-7-8-19-10-14)4-5-16(13)21(17)11-12-1-2-12/h3,6-8,10,12,15,19H,1-2,4-5,9,11H2,(H,20,23)
• InChIKey: XQYUGFSEPSJFLI-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 66.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.38
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide (CID 131683102) is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide.

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

The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide is O=C(NC1CCc2c(ccc(=O)n2CC2CC2)C1)c1cc[nH]c1.

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

The InChIKey is XQYUGFSEPSJFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-6-3-13-9-15(20-18(23)14-7-8-19-10-14)4-5-16(13)21(17)11-12-1-2-12/h3,6-8,10,12,15,19H,1-2,4-5,9,11H2,(H,20,23).

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

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131683102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).