4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine

C25H20F4N4O — CID 135268460

IUPAC4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
SMILESFc1ccc(Cc2ncccc2C(F)(F)F)cc1-c1ncnc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C25H20F4N4O/c26-21-6-3-16(13-23-20(25(27,28)29)2-1-7-30-23)12-19(21)24-18-5-4-17(14-22(18)31-15-32-24)33-8-10-34-11-9-33/h1-7,12,14-15H,8-11,13H2
InChIKeyUQLREVLKBUULMW-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.28
Rot. Bonds4

About 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine

4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine (PubChem CID 135268460) has the molecular formula C25H20F4N4O and a molecular weight of 468.45 g/mol. Its IUPAC name is 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
PubChem CID135268460
Molecular FormulaC25H20F4N4O
Molecular Weight468.45 g/mol
Exact Mass468.16
IUPAC Name4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
SMILESFc1ccc(Cc2ncccc2C(F)(F)F)cc1-c1ncnc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C25H20F4N4O/c26-21-6-3-16(13-23-20(25(27,28)29)2-1-7-30-23)12-19(21)24-18-5-4-17(14-22(18)31-15-32-24)33-8-10-34-11-9-33/h1-7,12,14-15H,8-11,13H2
InChIKeyUQLREVLKBUULMW-UHFFFAOYSA-N
XLogP5.28
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 144744787
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
N-[1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-3-methylbut-2-en-2-yl]prop-2-en-1-imine;propan-1-ol
CID 144744910
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-pyridin-2-ylacetaldehyde
CID 135268418
2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)acetamide
CID 118954995
4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
CID 135268702
ethane;(2E,4Z)-1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2,3-dimethyl-5-(methylideneamino)penta-2,4-dien-1-ol
CID 144744887
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine (CID 135268460) is 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine is Fc1ccc(Cc2ncccc2C(F)(F)F)cc1-c1ncnc2cc(N3CCOCC3)ccc12.
What is the InChIKey of 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine?
The InChIKey is UQLREVLKBUULMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O/c26-21-6-3-16(13-23-20(25(27,28)29)2-1-7-30-23)12-19(21)24-18-5-4-17(14-22(18)31-15-32-24)33-8-10-34-11-9-33/h1-7,12,14-15H,8-11,13H2.
What are the key properties of 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine?
4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine has a molecular weight of 468.45 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 135268460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).