2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one

C13H7F3N2O — CID 132503374

IUPAC2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2cc(C(F)(F)F)ccc2nc2ccccn12
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)8-4-5-10-9(7-8)12(19)18-6-2-1-3-11(18)17-10/h1-7H
InChIKeyYMBPLABHQXBURB-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.87
Rot. Bonds

About 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one

2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 132503374) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID132503374
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2cc(C(F)(F)F)ccc2nc2ccccn12
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)8-4-5-10-9(7-8)12(19)18-6-2-1-3-11(18)17-10/h1-7H
InChIKeyYMBPLABHQXBURB-UHFFFAOYSA-N
XLogP2.87
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine
CID 91738636
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 141326779
9-[[4-(trifluoromethyl)phenyl]methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
CID 46842129
3-[(E)-hydroxyiminomethyl]-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidin-4-one
CID 135514246
3,4-diamino-6-(trifluoromethyl)quinazolin-2-one
CID 59320586
6-benzyl-2-(trifluoromethyl)phenanthridine
CID 154722161
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
CID 7256665
ethyl 7-methyl-2-oxo-6-[4-(trifluoromethyl)benzoyl]imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 2155900
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine
CID 59053612
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one (CID 132503374) is 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one is O=c1c2cc(C(F)(F)F)ccc2nc2ccccn12.
What is the InChIKey of 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is YMBPLABHQXBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)8-4-5-10-9(7-8)12(19)18-6-2-1-3-11(18)17-10/h1-7H.
What are the key properties of 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 264.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 132503374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).