2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide

C19H13ClN6O — CID 71180723

IUPAC2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2ccnnc2)nc2cc(Cl)ccc12
InChIInChI=1S/C19H13ClN6O/c20-12-5-6-14-16(9-12)25-18(11-7-8-22-23-10-11)26-19(14)24-15-4-2-1-3-13(15)17(21)27/h1-10H,(H2,21,27)(H,24,25,26)
InChIKeyJYZCJQYMPWOHJV-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.58
Rot. Bonds4

About 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide

2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide (PubChem CID 71180723) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
PubChem CID71180723
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC Name2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2ccnnc2)nc2cc(Cl)ccc12
InChIInChI=1S/C19H13ClN6O/c20-12-5-6-14-16(9-12)25-18(11-7-8-22-23-10-11)26-19(14)24-15-4-2-1-3-13(15)17(21)27/h1-10H,(H2,21,27)(H,24,25,26)
InChIKeyJYZCJQYMPWOHJV-UHFFFAOYSA-N
XLogP3.58
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide (CID 71180723) is 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2ccnnc2)nc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is JYZCJQYMPWOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c20-12-5-6-14-16(9-12)25-18(11-7-8-22-23-10-11)26-19(14)24-15-4-2-1-3-13(15)17(21)27/h1-10H,(H2,21,27)(H,24,25,26).
What are the key properties of 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide?
2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 376.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71180723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).