3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one

C21H18FN3O2 — CID 118192563

IUPAC3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(OCc2ncccc2F)cc1N1Cc2ccccc2NC1=O
InChIInChI=1S/C21H18FN3O2/c1-14-8-9-16(27-13-19-17(22)6-4-10-23-19)11-20(14)25-12-15-5-2-3-7-18(15)24-21(25)26/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyIPGLBEGDMAITJI-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.66
Rot. Bonds4

About 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one

3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one (PubChem CID 118192563) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one
PubChem CID118192563
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(OCc2ncccc2F)cc1N1Cc2ccccc2NC1=O
InChIInChI=1S/C21H18FN3O2/c1-14-8-9-16(27-13-19-17(22)6-4-10-23-19)11-20(14)25-12-15-5-2-3-7-18(15)24-21(25)26/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyIPGLBEGDMAITJI-UHFFFAOYSA-N
XLogP4.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one (CID 118192563) is 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one is Cc1ccc(OCc2ncccc2F)cc1N1Cc2ccccc2NC1=O.
What is the InChIKey of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is IPGLBEGDMAITJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-8-9-16(27-13-19-17(22)6-4-10-23-19)11-20(14)25-12-15-5-2-3-7-18(15)24-21(25)26/h2-11H,12-13H2,1H3,(H,24,26).
What are the key properties of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one?
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 363.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 118192563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).