2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C18H13FN4O2 — CID 17459421

IUPAC2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cn3cnc4cc(F)ccc4c3=O)cc(=O)n12
InChIInChI=1S/C18H13FN4O2/c1-11-3-2-4-16-21-13(8-17(24)23(11)16)9-22-10-20-15-7-12(19)5-6-14(15)18(22)25/h2-8,10H,9H2,1H3
InChIKeyRCSSFXQOBCSUOR-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.90
Rot. Bonds2

About 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 17459421) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID17459421
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cn3cnc4cc(F)ccc4c3=O)cc(=O)n12
InChIInChI=1S/C18H13FN4O2/c1-11-3-2-4-16-21-13(8-17(24)23(11)16)9-22-10-20-15-7-12(19)5-6-14(15)18(22)25/h2-8,10H,9H2,1H3
InChIKeyRCSSFXQOBCSUOR-UHFFFAOYSA-N
XLogP1.90
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 17459421) is 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(Cn3cnc4cc(F)ccc4c3=O)cc(=O)n12.
What is the InChIKey of 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RCSSFXQOBCSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-3-2-4-16-21-13(8-17(24)23(11)16)9-22-10-20-15-7-12(19)5-6-14(15)18(22)25/h2-8,10H,9H2,1H3.
What are the key properties of 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 336.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17459421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).