3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one

C23H15N3O3 — CID 135821931

IUPAC3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESO=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C23H15N3O3/c27-15-11-9-14(10-12-15)26-21(24-20-8-4-2-6-17(20)23(26)29)13-18-16-5-1-3-7-19(16)25-22(18)28/h1-13,27H,(H,25,28)/b18-13-
InChIKeySLAGBDKBELKMJW-AQTBWJFISA-N
MW381.39 g/mol
LogP3.58
Rot. Bonds2

About 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one

3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (PubChem CID 135821931) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
PubChem CID135821931
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC Name3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESO=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C23H15N3O3/c27-15-11-9-14(10-12-15)26-21(24-20-8-4-2-6-17(20)23(26)29)13-18-16-5-1-3-7-19(16)25-22(18)28/h1-13,27H,(H,25,28)/b18-13-
InChIKeySLAGBDKBELKMJW-AQTBWJFISA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (CID 135821931) is 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The InChIKey is SLAGBDKBELKMJW-AQTBWJFISA-N. The full InChI is InChI=1S/C23H15N3O3/c27-15-11-9-14(10-12-15)26-21(24-20-8-4-2-6-17(20)23(26)29)13-18-16-5-1-3-7-19(16)25-22(18)28/h1-13,27H,(H,25,28)/b18-13-.
What are the key properties of 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one has a molecular weight of 381.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is sourced from PubChem (CID 135821931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).