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

C24H19ClF2N4O2 — CID 86292266

IUPAC(3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1c(F)cncc1Cl
InChIInChI=1S/C24H19ClF2N4O2/c25-18-11-28-12-20(27)22(18)24(32)14-1-4-19(26)17(9-14)23-16-3-2-15(10-21(16)29-13-30-23)31-5-7-33-8-6-31/h1-4,9-13,24,32H,5-8H2
InChIKeyUOGVCLMTQITAPC-UHFFFAOYSA-N
MW468.89 g/mol
LogP4.54
Rot. Bonds4

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

(3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86292266) has the molecular formula C24H19ClF2N4O2 and a molecular weight of 468.89 g/mol. Its IUPAC name is (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86292266
Molecular FormulaC24H19ClF2N4O2
Molecular Weight468.89 g/mol
Exact Mass468.12
IUPAC Name(3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1c(F)cncc1Cl
InChIInChI=1S/C24H19ClF2N4O2/c25-18-11-28-12-20(27)22(18)24(32)14-1-4-19(26)17(9-14)23-16-3-2-15(10-21(16)29-13-30-23)31-5-7-33-8-6-31/h1-4,9-13,24,32H,5-8H2
InChIKeyUOGVCLMTQITAPC-UHFFFAOYSA-N
XLogP4.54
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86292266) is (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1c(F)cncc1Cl.
What is the InChIKey of (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is UOGVCLMTQITAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O2/c25-18-11-28-12-20(27)22(18)24(32)14-1-4-19(26)17(9-14)23-16-3-2-15(10-21(16)29-13-30-23)31-5-7-33-8-6-31/h1-4,9-13,24,32H,5-8H2.
What are the key properties of (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 468.89 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-4-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86292266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).