N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide

C22H16N6O — CID 138588149

IUPACN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4cnc5ccccc5c4)cc3c2)cn1
InChIInChI=1S/C22H16N6O/c1-28-13-18(12-24-28)14-6-7-20-16(8-14)10-21(27-26-20)25-22(29)17-9-15-4-2-3-5-19(15)23-11-17/h2-13H,1H3,(H,25,27,29)
InChIKeySPFRFXPAZHDQMU-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.83
Rot. Bonds3

About N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide (PubChem CID 138588149) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
PubChem CID138588149
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4cnc5ccccc5c4)cc3c2)cn1
InChIInChI=1S/C22H16N6O/c1-28-13-18(12-24-28)14-6-7-20-16(8-14)10-21(27-26-20)25-22(29)17-9-15-4-2-3-5-19(15)23-11-17/h2-13H,1H3,(H,25,27,29)
InChIKeySPFRFXPAZHDQMU-UHFFFAOYSA-N
XLogP3.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-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-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide (CID 138588149) is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)c4cnc5ccccc5c4)cc3c2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide?
The InChIKey is SPFRFXPAZHDQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-28-13-18(12-24-28)14-6-7-20-16(8-14)10-21(27-26-20)25-22(29)17-9-15-4-2-3-5-19(15)23-11-17/h2-13H,1H3,(H,25,27,29).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide?
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 138588149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).