3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one

C19H19ClN4O — CID 23625621

IUPAC3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCCCn1c(N/N=C/c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C19H19ClN4O/c1-2-3-12-24-18(25)15-9-5-7-11-17(15)22-19(24)23-21-13-14-8-4-6-10-16(14)20/h4-11,13H,2-3,12H2,1H3,(H,22,23)/b21-13+
InChIKeyZZQFBGQNMRSUND-FYJGNVAPSA-N
MW354.84 g/mol
LogP4.30
Rot. Bonds6

About 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one

3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 23625621) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID23625621
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCCCn1c(N/N=C/c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C19H19ClN4O/c1-2-3-12-24-18(25)15-9-5-7-11-17(15)22-19(24)23-21-13-14-8-4-6-10-16(14)20/h4-11,13H,2-3,12H2,1H3,(H,22,23)/b21-13+
InChIKeyZZQFBGQNMRSUND-FYJGNVAPSA-N
XLogP4.30
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625767
2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
3-(3-methoxypropyl)-2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299243
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 3577710
3-(3-methoxypropyl)-2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299457
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
CID 4672416
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299253
3-(3-methoxypropyl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]quinazolin-4-one
CID 9299099
7-benzyl-8-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 25357959
2-amino-3-butylquinazolin-4-one
CID 71653207

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one (CID 23625621) is 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one is CCCCn1c(N/N=C/c2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is ZZQFBGQNMRSUND-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-3-12-24-18(25)15-9-5-7-11-17(15)22-19(24)23-21-13-14-8-4-6-10-16(14)20/h4-11,13H,2-3,12H2,1H3,(H,22,23)/b21-13+.
What are the key properties of 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one?
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 354.84 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 23625621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).