4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one

C14H15N3O2 — CID 106191834

IUPAC4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
SMILESCOc1ccc2c(NC3CNC(=O)C3)nccc2c1
InChIInChI=1S/C14H15N3O2/c1-19-11-2-3-12-9(6-11)4-5-15-14(12)17-10-7-13(18)16-8-10/h2-6,10H,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyAIXPKSUTKDNHCQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.54
Rot. Bonds3

About 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one

4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one (PubChem CID 106191834) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
PubChem CID106191834
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
SMILESCOc1ccc2c(NC3CNC(=O)C3)nccc2c1
InChIInChI=1S/C14H15N3O2/c1-19-11-2-3-12-9(6-11)4-5-15-14(12)17-10-7-13(18)16-8-10/h2-6,10H,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyAIXPKSUTKDNHCQ-UHFFFAOYSA-N
XLogP1.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106540034
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-methoxyisoquinolin-1-amine
CID 106538963
4-(furo[3,2-c]pyridin-4-ylamino)pyrrolidin-2-one
CID 107143780
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
methyl 3-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-4-carboxylate
CID 114157000
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
6-methoxy-N-(4-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106541117

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one (CID 106191834) is 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one is COc1ccc2c(NC3CNC(=O)C3)nccc2c1.
What is the InChIKey of 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one?
The InChIKey is AIXPKSUTKDNHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-11-2-3-12-9(6-11)4-5-15-14(12)17-10-7-13(18)16-8-10/h2-6,10H,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one?
4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).