CID 157046909

C8H4BFN2O — CID 157046909

IUPAC—
SMILES[B]c1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C8H4BFN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)
InChIKeyAZUXMYZEALFMKI-UHFFFAOYSA-N
MW173.94 g/mol
LogP-0.14
Rot. Bonds

About CID 157046909

CID 157046909 (PubChem CID 157046909) has the molecular formula C8H4BFN2O and a molecular weight of 173.94 g/mol.

Molecular Properties

Compound NameCID 157046909
PubChem CID157046909
Molecular FormulaC8H4BFN2O
Molecular Weight173.94 g/mol
Exact Mass174.04
IUPAC Name—
SMILES[B]c1cc2c(=O)[nH]cnc2cc1F
InChIInChI=1S/C8H4BFN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)
InChIKeyAZUXMYZEALFMKI-UHFFFAOYSA-N
XLogP-0.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.94
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-6-(methylamino)-3H-quinazolin-4-one
CID 146792791
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619
6-ethoxy-7-fluoro-3H-quinazolin-4-one
CID 136677481
7-fluoro-6-methylsulfanyl-3H-quinazolin-4-one;formic acid
CID 135745152
7-chloro-6-iodo-3H-quinazolin-4-one
CID 136641881
7-bromo-6-methylsulfanyl-3H-quinazolin-4-one
CID 135745151
6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135480525
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
CID 176689095
CID 176689095
(2S)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methylsulfanylbutanamide
CID 136849071
6-phenyl-3H-quinazolin-4-one
CID 135741302

Frequently Asked Questions

What is the IUPAC name of CID 157046909?
The IUPAC name of CID 157046909 (CID 157046909) is not available.
What is the SMILES notation for CID 157046909?
The canonical SMILES for CID 157046909 is [B]c1cc2c(=O)[nH]cnc2cc1F.
What is the InChIKey of CID 157046909?
The InChIKey is AZUXMYZEALFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BFN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13).
What are the key properties of CID 157046909?
CID 157046909 has a molecular weight of 173.94 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157046909 is sourced from PubChem (CID 157046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).