2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one

C14H9F3N2O — CID 14858469

IUPAC2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccc(C(F)(F)F)cn3c(=O)c2c1
InChIInChI=1S/C14H9F3N2O/c1-8-2-4-11-10(6-8)13(20)19-7-9(14(15,16)17)3-5-12(19)18-11/h2-7H,1H3
InChIKeyVAUCZXOYBNKTMT-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.17
Rot. Bonds

About 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one

2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 14858469) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID14858469
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3ccc(C(F)(F)F)cn3c(=O)c2c1
InChIInChI=1S/C14H9F3N2O/c1-8-2-4-11-10(6-8)13(20)19-7-9(14(15,16)17)3-5-12(19)18-11/h2-7H,1H3
InChIKeyVAUCZXOYBNKTMT-UHFFFAOYSA-N
XLogP3.17
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one (CID 14858469) is 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one is Cc1ccc2nc3ccc(C(F)(F)F)cn3c(=O)c2c1.
What is the InChIKey of 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is VAUCZXOYBNKTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-8-2-4-11-10(6-8)13(20)19-7-9(14(15,16)17)3-5-12(19)18-11/h2-7H,1H3.
What are the key properties of 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one?
2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 278.23 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 14858469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).