[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol

C24H21ClFN5O2 — CID 118954944

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol
SMILESCc1cnnc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)c1
InChIInChI=1S/C24H21ClFN5O2/c1-14-8-22(30-29-12-14)24(32)17-10-18(20(26)11-19(17)25)23-16-3-2-15(9-21(16)27-13-28-23)31-4-6-33-7-5-31/h2-3,8-13,24,32H,4-7H2,1H3
InChIKeyIWIZEUGGMFCIBN-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.11
Rot. Bonds4

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol (PubChem CID 118954944) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol
PubChem CID118954944
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol
SMILESCc1cnnc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)c1
InChIInChI=1S/C24H21ClFN5O2/c1-14-8-22(30-29-12-14)24(32)17-10-18(20(26)11-19(17)25)23-16-3-2-15(9-21(16)27-13-28-23)31-4-6-33-7-5-31/h2-3,8-13,24,32H,4-7H2,1H3
InChIKeyIWIZEUGGMFCIBN-UHFFFAOYSA-N
XLogP4.11
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol (CID 118954944) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol is Cc1cnnc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)c1.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol?
The InChIKey is IWIZEUGGMFCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-14-8-22(30-29-12-14)24(32)17-10-18(20(26)11-19(17)25)23-16-3-2-15(9-21(16)27-13-28-23)31-4-6-33-7-5-31/h2-3,8-13,24,32H,4-7H2,1H3.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol has a molecular weight of 465.92 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyridazin-3-yl)methanol is sourced from PubChem (CID 118954944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).