[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol

C22H20FN5O2 — CID 135268524

IUPAC[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol
SMILESOC(C1=CCN=C1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)cnc1F
InChIInChI=1S/C22H20FN5O2/c23-22-18(21(29)14-3-4-24-11-14)9-15(12-25-22)20-17-2-1-16(10-19(17)26-13-27-20)28-5-7-30-8-6-28/h1-3,9-13,21,29H,4-8H2
InChIKeySWFULFDZSLFFRA-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.71
Rot. Bonds4

About [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol

[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol (PubChem CID 135268524) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol.

Molecular Properties

Compound Name[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol
PubChem CID135268524
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol
SMILESOC(C1=CCN=C1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)cnc1F
InChIInChI=1S/C22H20FN5O2/c23-22-18(21(29)14-3-4-24-11-14)9-15(12-25-22)20-17-2-1-16(10-19(17)26-13-27-20)28-5-7-30-8-6-28/h1-3,9-13,21,29H,4-8H2
InChIKeySWFULFDZSLFFRA-UHFFFAOYSA-N
XLogP2.71
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.71
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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Related Compounds

[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 118954975
[2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methoxypyrimidin-4-yl)methanol
CID 135268970
[2-chloro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[(4E,7E)-2-methoxy-3,6-dihydroazocin-5-yl]methanol
CID 123451851
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-methylpyridazin-3-one
CID 118954888
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[4-(hydroxymethyl)-1,3-thiazol-2-yl]methanol
CID 118954746

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol?
The IUPAC name of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol (CID 135268524) is [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol.
What is the SMILES notation for [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol?
The canonical SMILES for [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol is OC(C1=CCN=C1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)cnc1F.
What is the InChIKey of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol?
The InChIKey is SWFULFDZSLFFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-22-18(21(29)14-3-4-24-11-14)9-15(12-25-22)20-17-2-1-16(10-19(17)26-13-27-20)28-5-7-30-8-6-28/h1-3,9-13,21,29H,4-8H2.
What are the key properties of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol?
[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol has a molecular weight of 405.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-3-pyridinyl]-(2H-pyrrol-4-yl)methanol is sourced from PubChem (CID 135268524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).