1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one

C19H17FN4O — CID 71540492

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)NCc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H17FN4O/c1-23-11-16(10-22-23)13-6-7-15(17(20)8-13)12-24-18-5-3-2-4-14(18)9-21-19(24)25/h2-8,10-11H,9,12H2,1H3,(H,21,25)
InChIKeyYOLBEDDYKRQPLI-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.46
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one (PubChem CID 71540492) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one
PubChem CID71540492
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)NCc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H17FN4O/c1-23-11-16(10-22-23)13-6-7-15(17(20)8-13)12-24-18-5-3-2-4-14(18)9-21-19(24)25/h2-8,10-11H,9,12H2,1H3,(H,21,25)
InChIKeyYOLBEDDYKRQPLI-UHFFFAOYSA-N
XLogP3.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one (CID 71540492) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one is Cn1cc(-c2ccc(CN3C(=O)NCc4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is YOLBEDDYKRQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-23-11-16(10-22-23)13-6-7-15(17(20)8-13)12-24-18-5-3-2-4-14(18)9-21-19(24)25/h2-8,10-11H,9,12H2,1H3,(H,21,25).
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 71540492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).