N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine

C23H20ClFN6O2 — CID 162220683

IUPACN-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine
SMILESCOc1ccc(Nc2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1
InChIInChI=1S/C23H20ClFN6O2/c1-32-22-5-4-21(29-30-22)28-20-11-16(18(25)12-17(20)24)23-15-3-2-14(10-19(15)26-13-27-23)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H,28,29)
InChIKeyZUBQVUYKRPMMEY-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.47
Rot. Bonds5

About N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine

N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine (PubChem CID 162220683) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine
PubChem CID162220683
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC NameN-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine
SMILESCOc1ccc(Nc2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1
InChIInChI=1S/C23H20ClFN6O2/c1-32-22-5-4-21(29-30-22)28-20-11-16(18(25)12-17(20)24)23-15-3-2-14(10-19(15)26-13-27-23)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H,28,29)
InChIKeyZUBQVUYKRPMMEY-UHFFFAOYSA-N
XLogP4.47
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine 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-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine?
The IUPAC name of N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine (CID 162220683) is N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine.
What is the SMILES notation for N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine?
The canonical SMILES for N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine is COc1ccc(Nc2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1.
What is the InChIKey of N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine?
The InChIKey is ZUBQVUYKRPMMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c1-32-22-5-4-21(29-30-22)28-20-11-16(18(25)12-17(20)24)23-15-3-2-14(10-19(15)26-13-27-23)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H,28,29).
What are the key properties of N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine?
N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine has a molecular weight of 466.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxypyridazin-3-amine is sourced from PubChem (CID 162220683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).