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

C25H22ClFN4O3 — CID 86291666

IUPAC(2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCOc1cnc(Cl)c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)c1
InChIInChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
InChIKeyWXRISZAPVAJOEF-UHFFFAOYSA-N
MW480.93 g/mol
LogP4.41
Rot. Bonds5

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

(2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86291666) has the molecular formula C25H22ClFN4O3 and a molecular weight of 480.93 g/mol. Its IUPAC name is (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86291666
Molecular FormulaC25H22ClFN4O3
Molecular Weight480.93 g/mol
Exact Mass480.14
IUPAC Name(2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESCOc1cnc(Cl)c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)c1
InChIInChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3
InChIKeyWXRISZAPVAJOEF-UHFFFAOYSA-N
XLogP4.41
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86291666) is (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is COc1cnc(Cl)c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)c1.
What is the InChIKey of (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is WXRISZAPVAJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O3/c1-33-17-12-20(25(26)28-13-17)24(32)15-2-5-21(27)19(10-15)23-18-4-3-16(11-22(18)29-14-30-23)31-6-8-34-9-7-31/h2-5,10-14,24,32H,6-9H2,1H3.
What are the key properties of (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
(2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 480.93 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methoxy-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86291666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).