6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one

C26H25FN4O3 — CID 118954842

IUPAC6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one
SMILESCc1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)n(C)c(=O)c1
InChIInChI=1S/C26H25FN4O3/c1-16-11-23(30(2)24(32)12-16)26(33)17-3-6-21(27)20(13-17)25-19-5-4-18(14-22(19)28-15-29-25)31-7-9-34-10-8-31/h3-6,11-15,26,33H,7-10H2,1-2H3
InChIKeyDGNYGAHGPZJGOK-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.36
Rot. Bonds4

About 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one

6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one (PubChem CID 118954842) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one
PubChem CID118954842
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one
SMILESCc1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)n(C)c(=O)c1
InChIInChI=1S/C26H25FN4O3/c1-16-11-23(30(2)24(32)12-16)26(33)17-3-6-21(27)20(13-17)25-19-5-4-18(14-22(19)28-15-29-25)31-7-9-34-10-8-31/h3-6,11-15,26,33H,7-10H2,1-2H3
InChIKeyDGNYGAHGPZJGOK-UHFFFAOYSA-N
XLogP3.36
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one?
The IUPAC name of 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one (CID 118954842) is 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one?
The canonical SMILES for 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one is Cc1cc(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)n(C)c(=O)c1.
What is the InChIKey of 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one?
The InChIKey is DGNYGAHGPZJGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-16-11-23(30(2)24(32)12-16)26(33)17-3-6-21(27)20(13-17)25-19-5-4-18(14-22(19)28-15-29-25)31-7-9-34-10-8-31/h3-6,11-15,26,33H,7-10H2,1-2H3.
What are the key properties of 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one?
6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one has a molecular weight of 460.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 118954842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).