7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one

C11H3F4N3O — CID 15548238

IUPAC7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2c(F)c(F)c(F)c(F)c2nc2ncccn12
InChIInChI=1S/C11H3F4N3O/c12-5-4-9(8(15)7(14)6(5)13)17-11-16-2-1-3-18(11)10(4)19/h1-3H
InChIKeyXZIGVQHWXHIPPT-UHFFFAOYSA-N
MW269.16 g/mol
LogP1.80
Rot. Bonds

About 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one

7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one (PubChem CID 15548238) has the molecular formula C11H3F4N3O and a molecular weight of 269.16 g/mol. Its IUPAC name is 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one
PubChem CID15548238
Molecular FormulaC11H3F4N3O
Molecular Weight269.16 g/mol
Exact Mass269.02
IUPAC Name7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2c(F)c(F)c(F)c(F)c2nc2ncccn12
InChIInChI=1S/C11H3F4N3O/c12-5-4-9(8(15)7(14)6(5)13)17-11-16-2-1-3-18(11)10(4)19/h1-3H
InChIKeyXZIGVQHWXHIPPT-UHFFFAOYSA-N
XLogP1.80
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one (CID 15548238) is 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one is O=c1c2c(F)c(F)c(F)c(F)c2nc2ncccn12.
What is the InChIKey of 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one?
The InChIKey is XZIGVQHWXHIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F4N3O/c12-5-4-9(8(15)7(14)6(5)13)17-11-16-2-1-3-18(11)10(4)19/h1-3H.
What are the key properties of 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one?
7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one has a molecular weight of 269.16 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrafluoropyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 15548238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).