N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide

C16H16N6O2 — CID 18384999

IUPACN-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12
InChIInChI=1S/C16H16N6O2/c1-24-9-14-11(15(23)21-16(17)18)8-20-22(14)13-6-2-5-12-10(13)4-3-7-19-12/h2-8H,9H2,1H3,(H4,17,18,21,23)
InChIKeyHZMXNVWHGPZUOP-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.98
Rot. Bonds4

About N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide

N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide (PubChem CID 18384999) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
PubChem CID18384999
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12
InChIInChI=1S/C16H16N6O2/c1-24-9-14-11(15(23)21-16(17)18)8-20-22(14)13-6-2-5-12-10(13)4-3-7-19-12/h2-8H,9H2,1H3,(H4,17,18,21,23)
InChIKeyHZMXNVWHGPZUOP-UHFFFAOYSA-N
XLogP0.98
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-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-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide (CID 18384999) is N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide is COCc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12.
What is the InChIKey of N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The InChIKey is HZMXNVWHGPZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-9-14-11(15(23)21-16(17)18)8-20-22(14)13-6-2-5-12-10(13)4-3-7-19-12/h2-8H,9H2,1H3,(H4,17,18,21,23).
What are the key properties of N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(methoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide is sourced from PubChem (CID 18384999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).