2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

C19H20ClFN4O2 — CID 86264691

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C19H20ClFN4O2/c20-15-2-1-3-16(21)14(15)10-18(26)25-5-4-13-11-22-19(23-17(13)12-25)24-6-8-27-9-7-24/h1-3,11H,4-10,12H2
InChIKeyAAIPDZTZWSTCKT-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone (PubChem CID 86264691) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
PubChem CID86264691
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C19H20ClFN4O2/c20-15-2-1-3-16(21)14(15)10-18(26)25-5-4-13-11-22-19(23-17(13)12-25)24-6-8-27-9-7-24/h1-3,11H,4-10,12H2
InChIKeyAAIPDZTZWSTCKT-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone (CID 86264691) is 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The InChIKey is AAIPDZTZWSTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c20-15-2-1-3-16(21)14(15)10-18(26)25-5-4-13-11-22-19(23-17(13)12-25)24-6-8-27-9-7-24/h1-3,11H,4-10,12H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone has a molecular weight of 390.85 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone is sourced from PubChem (CID 86264691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).