N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide

C18H13BrN6O — CID 89260416

IUPACN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide
SMILESO=CNc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C18H13BrN6O/c19-14-1-2-17-12(3-14)7-20-18(25-17)24-16-5-11(13-8-22-23-9-13)4-15(6-16)21-10-26/h1-10H,(H,21,26)(H,22,23)(H,20,24,25)
InChIKeyHKILRFXCSNXWNG-UHFFFAOYSA-N
MW409.25 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide

N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide (PubChem CID 89260416) has the molecular formula C18H13BrN6O and a molecular weight of 409.25 g/mol. Its IUPAC name is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide
PubChem CID89260416
Molecular FormulaC18H13BrN6O
Molecular Weight409.25 g/mol
Exact Mass408.03
IUPAC NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide
SMILESO=CNc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C18H13BrN6O/c19-14-1-2-17-12(3-14)7-20-18(25-17)24-16-5-11(13-8-22-23-9-13)4-15(6-16)21-10-26/h1-10H,(H,21,26)(H,22,23)(H,20,24,25)
InChIKeyHKILRFXCSNXWNG-UHFFFAOYSA-N
XLogP4.09
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.25
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide 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-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide?
The IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide (CID 89260416) is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide.
What is the SMILES notation for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide?
The canonical SMILES for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide is O=CNc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide?
The InChIKey is HKILRFXCSNXWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN6O/c19-14-1-2-17-12(3-14)7-20-18(25-17)24-16-5-11(13-8-22-23-9-13)4-15(6-16)21-10-26/h1-10H,(H,21,26)(H,22,23)(H,20,24,25).
What are the key properties of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide?
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide has a molecular weight of 409.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide is sourced from PubChem (CID 89260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).