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

C25H21F3N4O3 — CID 86292452

IUPAC[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1OC(F)F
InChIInChI=1S/C25H21F3N4O3/c26-19-6-3-15(24(33)23-21(35-25(27)28)2-1-7-29-23)12-18(19)22-17-5-4-16(13-20(17)30-14-31-22)32-8-10-34-11-9-32/h1-7,12-14,24-25,33H,8-11H2
InChIKeyLBUXFIGKVFCKLV-UHFFFAOYSA-N
MW482.46 g/mol
LogP4.35
Rot. Bonds6

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

[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (PubChem CID 86292452) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
PubChem CID86292452
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC Name[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
SMILESOC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1OC(F)F
InChIInChI=1S/C25H21F3N4O3/c26-19-6-3-15(24(33)23-21(35-25(27)28)2-1-7-29-23)12-18(19)22-17-5-4-16(13-20(17)30-14-31-22)32-8-10-34-11-9-32/h1-7,12-14,24-25,33H,8-11H2
InChIKeyLBUXFIGKVFCKLV-UHFFFAOYSA-N
XLogP4.35
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
(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
(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
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
(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 [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The IUPAC name of [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol (CID 86292452) is [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The canonical SMILES for [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is OC(c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1)c1ncccc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
The InChIKey is LBUXFIGKVFCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c26-19-6-3-15(24(33)23-21(35-25(27)28)2-1-7-29-23)12-18(19)22-17-5-4-16(13-20(17)30-14-31-22)32-8-10-34-11-9-32/h1-7,12-14,24-25,33H,8-11H2.
What are the key properties of [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol?
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol has a molecular weight of 482.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol is sourced from PubChem (CID 86292452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).