N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide

C17H19N3O3 — CID 99840560

IUPACN-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide
SMILESCOCN1C(=O)CCc2cc(NC(=O)c3cccn3C)ccc21
InChIInChI=1S/C17H19N3O3/c1-19-9-3-4-15(19)17(22)18-13-6-7-14-12(10-13)5-8-16(21)20(14)11-23-2/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,18,22)
InChIKeySTIYTRZRQLTVGG-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide

N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 99840560) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide
PubChem CID99840560
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide
SMILESCOCN1C(=O)CCc2cc(NC(=O)c3cccn3C)ccc21
InChIInChI=1S/C17H19N3O3/c1-19-9-3-4-15(19)17(22)18-13-6-7-14-12(10-13)5-8-16(21)20(14)11-23-2/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,18,22)
InChIKeySTIYTRZRQLTVGG-UHFFFAOYSA-N
XLogP2.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide (CID 99840560) is N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide is COCN1C(=O)CCc2cc(NC(=O)c3cccn3C)ccc21.
What is the InChIKey of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is STIYTRZRQLTVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19-9-3-4-15(19)17(22)18-13-6-7-14-12(10-13)5-8-16(21)20(14)11-23-2/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide?
N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 99840560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).