6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one

C25H23FN4O3 — CID 118954788

IUPAC6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one
SMILESCn1c(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)ccc2F)cccc1=O
InChIInChI=1S/C25H23FN4O3/c1-29-22(3-2-4-23(29)31)25(32)19-13-16(5-8-20(19)26)24-18-7-6-17(14-21(18)27-15-28-24)30-9-11-33-12-10-30/h2-8,13-15,25,32H,9-12H2,1H3
InChIKeyPKBPQGNBNQFAKJ-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.05
Rot. Bonds4

About 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one

6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one (PubChem CID 118954788) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one
PubChem CID118954788
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one
SMILESCn1c(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)ccc2F)cccc1=O
InChIInChI=1S/C25H23FN4O3/c1-29-22(3-2-4-23(29)31)25(32)19-13-16(5-8-20(19)26)24-18-7-6-17(14-21(18)27-15-28-24)30-9-11-33-12-10-30/h2-8,13-15,25,32H,9-12H2,1H3
InChIKeyPKBPQGNBNQFAKJ-UHFFFAOYSA-N
XLogP3.05
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one?
The IUPAC name of 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one (CID 118954788) is 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one is Cn1c(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)ccc2F)cccc1=O.
What is the InChIKey of 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one?
The InChIKey is PKBPQGNBNQFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-29-22(3-2-4-23(29)31)25(32)19-13-16(5-8-20(19)26)24-18-7-6-17(14-21(18)27-15-28-24)30-9-11-33-12-10-30/h2-8,13-15,25,32H,9-12H2,1H3.
What are the key properties of 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one?
6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one has a molecular weight of 446.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).