1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one

C17H16N4O2 — CID 17456836

IUPAC1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
SMILESCc1ccc(-c2[nH]ncc2C2NC(=O)c3ccccc3N2C)o1
InChIInChI=1S/C17H16N4O2/c1-10-7-8-14(23-10)15-12(9-18-20-15)16-19-17(22)11-5-3-4-6-13(11)21(16)2/h3-9,16H,1-2H3,(H,18,20)(H,19,22)
InChIKeyUFKLKARRHSZVOF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.86
Rot. Bonds2

About 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one

1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one (PubChem CID 17456836) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
PubChem CID17456836
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
SMILESCc1ccc(-c2[nH]ncc2C2NC(=O)c3ccccc3N2C)o1
InChIInChI=1S/C17H16N4O2/c1-10-7-8-14(23-10)15-12(9-18-20-15)16-19-17(22)11-5-3-4-6-13(11)21(16)2/h3-9,16H,1-2H3,(H,18,20)(H,19,22)
InChIKeyUFKLKARRHSZVOF-UHFFFAOYSA-N
XLogP2.86
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
The IUPAC name of 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one (CID 17456836) is 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one is Cc1ccc(-c2[nH]ncc2C2NC(=O)c3ccccc3N2C)o1.
What is the InChIKey of 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
The InChIKey is UFKLKARRHSZVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-7-8-14(23-10)15-12(9-18-20-15)16-19-17(22)11-5-3-4-6-13(11)21(16)2/h3-9,16H,1-2H3,(H,18,20)(H,19,22).
What are the key properties of 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 17456836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).