3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one

C19H19N3O2 — CID 29456331

IUPAC3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCCCOc1ccc(/C=N\n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-2-3-12-24-16-10-8-15(9-11-16)13-21-22-14-20-18-7-5-4-6-17(18)19(22)23/h4-11,13-14H,2-3,12H2,1H3/b21-13-
InChIKeyTUUISSJSAHRWFX-BKUYFWCQSA-N
MW321.38 g/mol
LogP3.46
Rot. Bonds6

About 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one

3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 29456331) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID29456331
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCCCOc1ccc(/C=N\n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-2-3-12-24-16-10-8-15(9-11-16)13-21-22-14-20-18-7-5-4-6-17(18)19(22)23/h4-11,13-14H,2-3,12H2,1H3/b21-13-
InChIKeyTUUISSJSAHRWFX-BKUYFWCQSA-N
XLogP3.46
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(Z)-(4-butoxyphenyl)methylideneamino]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

5-[(Z)-(4-butoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462061
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
CID 18229360
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 112537966
3-[(Z)-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]quinazolin-4-one
CID 126206524
5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9461880
4-[(Z)-[4-(3-phenylpropoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110519047
4-[(Z)-(4-butoxyphenyl)methylideneamino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 110507823
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one (CID 29456331) is 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one is CCCCOc1ccc(/C=N\n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is TUUISSJSAHRWFX-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-12-24-16-10-8-15(9-11-16)13-21-22-14-20-18-7-5-4-6-17(18)19(22)23/h4-11,13-14H,2-3,12H2,1H3/b21-13-.
What are the key properties of 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one?
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 29456331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).