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

C24H20ClFN4O2 — CID 86292074

IUPAC(3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1Cl
InChIInChI=1S/C24H20ClFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
InChIKeyIKPAUHLVUSUQBQ-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.40
Rot. Bonds4

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

(3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86292074) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86292074
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC Name(3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1Cl
InChIInChI=1S/C24H20ClFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
InChIKeyIKPAUHLVUSUQBQ-UHFFFAOYSA-N
XLogP4.40
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86292074) is (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is IKPAUHLVUSUQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2.
What are the key properties of (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 450.90 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86292074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).