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

C25H20F4N4O2 — CID 118955010

IUPAC[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1C(F)(F)F
InChIInChI=1S/C25H20F4N4O2/c26-20-6-3-15(24(34)23-19(25(27,28)29)2-1-7-30-23)12-18(20)22-17-5-4-16(13-21(17)31-14-32-22)33-8-10-35-11-9-33/h1-7,12-14,24,34H,8-11H2
InChIKeySJVDCFJVJFVWBU-UHFFFAOYSA-N
MW484.45 g/mol
LogP4.77
Rot. Bonds4

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

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118955010) has the molecular formula C25H20F4N4O2 and a molecular weight of 484.45 g/mol. Its IUPAC name is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118955010
Molecular FormulaC25H20F4N4O2
Molecular Weight484.45 g/mol
Exact Mass484.15
IUPAC Name[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1C(F)(F)F
InChIInChI=1S/C25H20F4N4O2/c26-20-6-3-15(24(34)23-19(25(27,28)29)2-1-7-30-23)12-18(20)22-17-5-4-16(13-21(17)31-14-32-22)33-8-10-35-11-9-33/h1-7,12-14,24,34H,8-11H2
InChIKeySJVDCFJVJFVWBU-UHFFFAOYSA-N
XLogP4.77
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol with MolForge

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Related Compounds

[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
CID 135268460
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
(R)-[4-fluoro-3-[7-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)quinazolin-4-yl]phenyl]-(3-methylpyrazin-2-yl)methanol
CID 164737810
[6-(1-amino-2-methylpropan-2-yl)oxypyridazin-3-yl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954923
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
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
(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 135268560

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol (CID 118955010) is [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1C(F)(F)F.
What is the InChIKey of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is SJVDCFJVJFVWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O2/c26-20-6-3-15(24(34)23-19(25(27,28)29)2-1-7-30-23)12-18(20)22-17-5-4-16(13-21(17)31-14-32-22)33-8-10-35-11-9-33/h1-7,12-14,24,34H,8-11H2.
What are the key properties of [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol?
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 484.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118955010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).