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

C26H25FN4O3 — CID 118966403

IUPAC1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one
SMILESCCn1c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cccc1=O
InChIInChI=1S/C26H25FN4O3/c1-2-31-23(4-3-5-24(31)32)26(33)17-6-9-21(27)20(14-17)25-19-8-7-18(15-22(19)28-16-29-25)30-10-12-34-13-11-30/h3-9,14-16,26,33H,2,10-13H2,1H3
InChIKeyHPNZHZQMNZAMPI-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.54
Rot. Bonds5

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

1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one (PubChem CID 118966403) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one
PubChem CID118966403
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one
SMILESCCn1c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cccc1=O
InChIInChI=1S/C26H25FN4O3/c1-2-31-23(4-3-5-24(31)32)26(33)17-6-9-21(27)20(14-17)25-19-8-7-18(15-22(19)28-16-29-25)30-10-12-34-13-11-30/h3-9,14-16,26,33H,2,10-13H2,1H3
InChIKeyHPNZHZQMNZAMPI-UHFFFAOYSA-N
XLogP3.54
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one (CID 118966403) is 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one is CCn1c(C(O)c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ccc34)c2)cccc1=O.
What is the InChIKey of 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one?
The InChIKey is HPNZHZQMNZAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-2-31-23(4-3-5-24(31)32)26(33)17-6-9-21(27)20(14-17)25-19-8-7-18(15-22(19)28-16-29-25)30-10-12-34-13-11-30/h3-9,14-16,26,33H,2,10-13H2,1H3.
What are the key properties of 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one?
1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one has a molecular weight of 460.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]pyridin-2-one is sourced from PubChem (CID 118966403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).