3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one

C23H28N4O2 — CID 9299763

IUPAC3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCOCCCn1c(N/N=C(/C)c2c(C)cc(C)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C23H28N4O2/c1-15-13-16(2)21(17(3)14-15)18(4)25-26-23-24-20-10-7-6-9-19(20)22(28)27(23)11-8-12-29-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,24,26)/b25-18-
InChIKeyZESXXQOPTYADGS-BWAHOGKJSA-N
MW392.50 g/mol
LogP4.19
Rot. Bonds7

About 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one

3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one (PubChem CID 9299763) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
PubChem CID9299763
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCOCCCn1c(N/N=C(/C)c2c(C)cc(C)cc2C)nc2ccccc2c1=O
InChIInChI=1S/C23H28N4O2/c1-15-13-16(2)21(17(3)14-15)18(4)25-26-23-24-20-10-7-6-9-19(20)22(28)27(23)11-8-12-29-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,24,26)/b25-18-
InChIKeyZESXXQOPTYADGS-BWAHOGKJSA-N
XLogP4.19
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-2-[1-(2-methoxy-5-methylphenyl)ethylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299851
2-[(2E)-2-[1-(2-hydroxy-5-methylphenyl)propylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135839960
3-(3-methoxypropyl)-2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299457
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
2-[(2Z)-2-[1-(3,4-difluorophenyl)ethylidene]hydrazinyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 8984479
2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 8984147
3-(3-propan-2-yloxypropyl)-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]quinazolin-4-one
CID 8984080
3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one
CID 9299535
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
3-(3-methoxypropyl)-2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299243
2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299885

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one (CID 9299763) is 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one is COCCCn1c(N/N=C(/C)c2c(C)cc(C)cc2C)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is ZESXXQOPTYADGS-BWAHOGKJSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-13-16(2)21(17(3)14-15)18(4)25-26-23-24-20-10-7-6-9-19(20)22(28)27(23)11-8-12-29-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,24,26)/b25-18-.
What are the key properties of 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 392.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 9299763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).