ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one

C17H18FN3O — CID 145212635

IUPACethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
SMILESCC.Cc1nc2ccc(F)cc2c(=O)n1Cc1ccccn1
InChIInChI=1S/C15H12FN3O.C2H6/c1-10-18-14-6-5-11(16)8-13(14)15(20)19(10)9-12-4-2-3-7-17-12;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyAHVMZOHXHOCLMB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.31
Rot. Bonds2

About ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one

ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one (PubChem CID 145212635) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Nameethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
PubChem CID145212635
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Nameethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
SMILESCC.Cc1nc2ccc(F)cc2c(=O)n1Cc1ccccn1
InChIInChI=1S/C15H12FN3O.C2H6/c1-10-18-14-6-5-11(16)8-13(14)15(20)19(10)9-12-4-2-3-7-17-12;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyAHVMZOHXHOCLMB-UHFFFAOYSA-N
XLogP3.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1S)-1-[6-fluoro-4-oxo-3-(pyridin-2-ylmethyl)quinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
CID 134427713
5-chloro-2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 24904003
4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191905
6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 134427711
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 18362996
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 71700514
4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335883
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one
CID 135546074

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The IUPAC name of ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one (CID 145212635) is ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one is CC.Cc1nc2ccc(F)cc2c(=O)n1Cc1ccccn1.
What is the InChIKey of ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The InChIKey is AHVMZOHXHOCLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O.C2H6/c1-10-18-14-6-5-11(16)8-13(14)15(20)19(10)9-12-4-2-3-7-17-12;1-2/h2-8H,9H2,1H3;1-2H3.
What are the key properties of ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one?
ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one has a molecular weight of 299.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 145212635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).