3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one

C18H13BrN4O2 — CID 53328986

IUPAC3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(Br)c(Nc3ccc4ncccc4c3)nc12
InChIInChI=1S/C18H13BrN4O2/c1-25-14-5-3-9-23-17(14)22-16(15(19)18(23)24)21-12-6-7-13-11(10-12)4-2-8-20-13/h2-10,21H,1H3
InChIKeyFGDAZMLWCYKOSS-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.76
Rot. Bonds3

About 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one

3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 53328986) has the molecular formula C18H13BrN4O2 and a molecular weight of 397.23 g/mol. Its IUPAC name is 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID53328986
Molecular FormulaC18H13BrN4O2
Molecular Weight397.23 g/mol
Exact Mass396.02
IUPAC Name3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(Br)c(Nc3ccc4ncccc4c3)nc12
InChIInChI=1S/C18H13BrN4O2/c1-25-14-5-3-9-23-17(14)22-16(15(19)18(23)24)21-12-6-7-13-11(10-12)4-2-8-20-13/h2-10,21H,1H3
InChIKeyFGDAZMLWCYKOSS-UHFFFAOYSA-N
XLogP3.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one (CID 53328986) is 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one is COc1cccn2c(=O)c(Br)c(Nc3ccc4ncccc4c3)nc12.
What is the InChIKey of 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FGDAZMLWCYKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2/c1-25-14-5-3-9-23-17(14)22-16(15(19)18(23)24)21-12-6-7-13-11(10-12)4-2-8-20-13/h2-10,21H,1H3.
What are the key properties of 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one?
3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 397.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 53328986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).