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

C23H18ClF2N5O2 — CID 118954822

IUPAC(4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nncc(F)c1Cl
InChIInChI=1S/C23H18ClF2N5O2/c24-20-18(26)11-29-30-22(20)23(32)13-1-4-17(25)16(9-13)21-15-3-2-14(10-19(15)27-12-28-21)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2
InChIKeyJEZGSFAFZCVHBZ-UHFFFAOYSA-N
MW469.88 g/mol
LogP3.94
Rot. Bonds4

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

(4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 118954822) has the molecular formula C23H18ClF2N5O2 and a molecular weight of 469.88 g/mol. Its IUPAC name is (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID118954822
Molecular FormulaC23H18ClF2N5O2
Molecular Weight469.88 g/mol
Exact Mass469.11
IUPAC Name(4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nncc(F)c1Cl
InChIInChI=1S/C23H18ClF2N5O2/c24-20-18(26)11-29-30-22(20)23(32)13-1-4-17(25)16(9-13)21-15-3-2-14(10-19(15)27-12-28-21)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2
InChIKeyJEZGSFAFZCVHBZ-UHFFFAOYSA-N
XLogP3.94
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 118954822) is (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1nncc(F)c1Cl.
What is the InChIKey of (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is JEZGSFAFZCVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2/c24-20-18(26)11-29-30-22(20)23(32)13-1-4-17(25)16(9-13)21-15-3-2-14(10-19(15)27-12-28-21)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2.
What are the key properties of (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 469.88 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoropyridazin-3-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 118954822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).