7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one

C14H16BrN3O3 — CID 118612832

IUPAC7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCCN2CCOCC2)cnc2ccc(Br)cn12
InChIInChI=1S/C14H16BrN3O3/c15-11-1-2-13-16-9-12(14(19)18(13)10-11)21-8-5-17-3-6-20-7-4-17/h1-2,9-10H,3-8H2
InChIKeySFWQQCKCHJENLK-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.17
Rot. Bonds4

About 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one

7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118612832) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID118612832
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCCN2CCOCC2)cnc2ccc(Br)cn12
InChIInChI=1S/C14H16BrN3O3/c15-11-1-2-13-16-9-12(14(19)18(13)10-11)21-8-5-17-3-6-20-7-4-17/h1-2,9-10H,3-8H2
InChIKeySFWQQCKCHJENLK-UHFFFAOYSA-N
XLogP1.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one (CID 118612832) is 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one is O=c1c(OCCN2CCOCC2)cnc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SFWQQCKCHJENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c15-11-1-2-13-16-9-12(14(19)18(13)10-11)21-8-5-17-3-6-20-7-4-17/h1-2,9-10H,3-8H2.
What are the key properties of 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 354.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118612832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).