3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

C22H15N5O2S — CID 9031962

IUPAC3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
SMILESO=c1c2ccccc2[nH]c(=S)n1/N=C\c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C22H15N5O2S/c28-21-17-9-4-5-10-18(17)24-22(30)27(21)23-13-15-14-26(16-7-2-1-3-8-16)25-20(15)19-11-6-12-29-19/h1-14H,(H,24,30)/b23-13-
InChIKeyUBCHLPVDIWBQSF-QRVIBDJDSA-N
MW413.46 g/mol
LogP4.39
Rot. Bonds4

About 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 9031962) has the molecular formula C22H15N5O2S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID9031962
Molecular FormulaC22H15N5O2S
Molecular Weight413.46 g/mol
Exact Mass413.09
IUPAC Name3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
SMILESO=c1c2ccccc2[nH]c(=S)n1/N=C\c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C22H15N5O2S/c28-21-17-9-4-5-10-18(17)24-22(30)27(21)23-13-15-14-26(16-7-2-1-3-8-16)25-20(15)19-11-6-12-29-19/h1-14H,(H,24,30)/b23-13-
InChIKeyUBCHLPVDIWBQSF-QRVIBDJDSA-N
XLogP4.39
TPSA81.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 8979507
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8973426
3-(furan-2-yl)-4-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 8980197
3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820843
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9023528
4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoic acid
CID 9031519
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657
2-sulfanylidene-3-[(Z)-thiophen-3-ylmethylideneamino]-1H-quinazolin-4-one
CID 9031584
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 5455968
4-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295279
3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 9031963
3-[(Z)-3-phenylpropylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 9031592

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one (CID 9031962) is 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one is O=c1c2ccccc2[nH]c(=S)n1/N=C\c1cn(-c2ccccc2)nc1-c1ccco1.
What is the InChIKey of 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is UBCHLPVDIWBQSF-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H15N5O2S/c28-21-17-9-4-5-10-18(17)24-22(30)27(21)23-13-15-14-26(16-7-2-1-3-8-16)25-20(15)19-11-6-12-29-19/h1-14H,(H,24,30)/b23-13-.
What are the key properties of 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one?
3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 413.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 9031962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).