11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one

C25H17F3N4O2 — CID 44599911

IUPAC11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
SMILESO=C(CN1c2ccccc2Cn2c1nc(-c1ccncc1)cc2=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H17F3N4O2/c26-25(27,28)19-6-3-5-17(12-19)22(33)15-31-21-7-2-1-4-18(21)14-32-23(34)13-20(30-24(31)32)16-8-10-29-11-9-16/h1-13H,14-15H2
InChIKeyOXAHNPYORLWZRP-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.71
Rot. Bonds4

About 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one

11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one (PubChem CID 44599911) has the molecular formula C25H17F3N4O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one.

Molecular Properties

Compound Name11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
PubChem CID44599911
Molecular FormulaC25H17F3N4O2
Molecular Weight462.43 g/mol
Exact Mass462.13
IUPAC Name11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
SMILESO=C(CN1c2ccccc2Cn2c1nc(-c1ccncc1)cc2=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H17F3N4O2/c26-25(27,28)19-6-3-5-17(12-19)22(33)15-31-21-7-2-1-4-18(21)14-32-23(34)13-20(30-24(31)32)16-8-10-29-11-9-16/h1-13H,14-15H2
InChIKeyOXAHNPYORLWZRP-UHFFFAOYSA-N
XLogP4.71
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one?
The IUPAC name of 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one (CID 44599911) is 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one.
What is the SMILES notation for 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one?
The canonical SMILES for 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one is O=C(CN1c2ccccc2Cn2c1nc(-c1ccncc1)cc2=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one?
The InChIKey is OXAHNPYORLWZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2/c26-25(27,28)19-6-3-5-17(12-19)22(33)15-31-21-7-2-1-4-18(21)14-32-23(34)13-20(30-24(31)32)16-8-10-29-11-9-16/h1-13H,14-15H2.
What are the key properties of 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one?
11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one has a molecular weight of 462.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one is sourced from PubChem (CID 44599911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).