[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol

C26H26ClFN4O2 — CID 135268595

IUPAC[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol
SMILESCN1CC=CC=C1C(O)c1cc(-c2ncnc3cc(N4CCCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C26H26ClFN4O2/c1-31-8-3-2-5-24(31)26(33)19-14-20(22(28)15-21(19)27)25-18-7-6-17(13-23(18)29-16-30-25)32-9-4-11-34-12-10-32/h2-3,5-7,13-16,26,33H,4,8-12H2,1H3
InChIKeyXHVFZSLJSRJHPK-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.73
Rot. Bonds4

About [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol

[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol (PubChem CID 135268595) has the molecular formula C26H26ClFN4O2 and a molecular weight of 480.97 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol
PubChem CID135268595
Molecular FormulaC26H26ClFN4O2
Molecular Weight480.97 g/mol
Exact Mass480.17
IUPAC Name[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol
SMILESCN1CC=CC=C1C(O)c1cc(-c2ncnc3cc(N4CCCOCC4)ccc23)c(F)cc1Cl
InChIInChI=1S/C26H26ClFN4O2/c1-31-8-3-2-5-24(31)26(33)19-14-20(22(28)15-21(19)27)25-18-7-6-17(13-23(18)29-16-30-25)32-9-4-11-34-12-10-32/h2-3,5-7,13-16,26,33H,4,8-12H2,1H3
InChIKeyXHVFZSLJSRJHPK-UHFFFAOYSA-N
XLogP4.73
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-(2-hydroxyethyl)pyridazin-3-one
CID 118954862
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[4-(hydroxymethyl)-1,3-thiazol-2-yl]methanol
CID 118954746
methyl 2-[6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridazin-3-yl]oxyacetate
CID 118954756
6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-methylpyridazin-3-one
CID 118954888
2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)acetamide
CID 118954995
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[2-chloro-5-(5,6-dideuterio-7-morpholin-4-ylquinazolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 118954836
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929903
5-fluoro-2-[(2E,4E)-1-hydroxy-5-methoxy-2-methyl-5-(methylideneamino)penta-2,4-dienyl]-4-(7-morpholin-4-ylquinazolin-4-yl)phenol
CID 137288877
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol (CID 135268595) is [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol is CN1CC=CC=C1C(O)c1cc(-c2ncnc3cc(N4CCCOCC4)ccc23)c(F)cc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol?
The InChIKey is XHVFZSLJSRJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O2/c1-31-8-3-2-5-24(31)26(33)19-14-20(22(28)15-21(19)27)25-18-7-6-17(13-23(18)29-16-30-25)32-9-4-11-34-12-10-32/h2-3,5-7,13-16,26,33H,4,8-12H2,1H3.
What are the key properties of [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol?
[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol has a molecular weight of 480.97 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol is sourced from PubChem (CID 135268595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).