(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione

C17H10FN3O2 — CID 171345005

IUPAC(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione
SMILESO=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccc(F)cc1
InChIInChI=1S/C17H10FN3O2/c18-11-7-5-10(6-8-11)9-13-15-19-14-4-2-1-3-12(14)17(23)21(15)20-16(13)22/h1-9H,(H,20,22)/b13-9-
InChIKeyDCMYHQMCRQKYSM-LCYFTJDESA-N
MW307.28 g/mol
LogP1.22
Rot. Bonds1

About (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione

(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione (PubChem CID 171345005) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione.

Molecular Properties

Compound Name(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione
PubChem CID171345005
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione
SMILESO=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccc(F)cc1
InChIInChI=1S/C17H10FN3O2/c18-11-7-5-10(6-8-11)9-13-15-19-14-4-2-1-3-12(14)17(23)21(15)20-16(13)22/h1-9H,(H,20,22)/b13-9-
InChIKeyDCMYHQMCRQKYSM-LCYFTJDESA-N
XLogP1.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione?
The IUPAC name of (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione (CID 171345005) is (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione.
What is the SMILES notation for (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione?
The canonical SMILES for (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione is O=c1[nH]n2c(=O)c3ccccc3nc2/c1=C/c1ccc(F)cc1.
What is the InChIKey of (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione?
The InChIKey is DCMYHQMCRQKYSM-LCYFTJDESA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-11-7-5-10(6-8-11)9-13-15-19-14-4-2-1-3-12(14)17(23)21(15)20-16(13)22/h1-9H,(H,20,22)/b13-9-.
What are the key properties of (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione?
(3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione has a molecular weight of 307.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-fluorophenyl)methylidene]-1H-pyrazolo[5,1-b]quinazoline-2,9-dione is sourced from PubChem (CID 171345005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).