7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one

C15H18N4O — CID 61225923

IUPAC7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(-c2cc3c(cc2N)NC(=O)CC3)c(C)c1C
InChIInChI=1S/C15H18N4O/c1-8-9(2)18-19(10(8)3)14-6-11-4-5-15(20)17-13(11)7-12(14)16/h6-7H,4-5,16H2,1-3H3,(H,17,20)
InChIKeyMVUNWWLYCDBBFM-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.26
Rot. Bonds1

About 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61225923) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61225923
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(-c2cc3c(cc2N)NC(=O)CC3)c(C)c1C
InChIInChI=1S/C15H18N4O/c1-8-9(2)18-19(10(8)3)14-6-11-4-5-15(20)17-13(11)7-12(14)16/h6-7H,4-5,16H2,1-3H3,(H,17,20)
InChIKeyMVUNWWLYCDBBFM-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 61225923) is 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one is Cc1nn(-c2cc3c(cc2N)NC(=O)CC3)c(C)c1C.
What is the InChIKey of 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MVUNWWLYCDBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8-9(2)18-19(10(8)3)14-6-11-4-5-15(20)17-13(11)7-12(14)16/h6-7H,4-5,16H2,1-3H3,(H,17,20).
What are the key properties of 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 270.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61225923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).