4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide

C25H21ClN4O5 — CID 27259647

IUPAC4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClN4O5/c26-18-9-11-19(12-10-18)35-15-16-5-7-17(8-6-16)23(32)29-28-22(31)13-14-30-21-4-2-1-3-20(21)24(33)27-25(30)34/h1-12H,13-15H2,(H,28,31)(H,29,32)(H,27,33,34)
InChIKeyHEUPQBWSSSTNQQ-UHFFFAOYSA-N
MW492.92 g/mol
LogP2.77
Rot. Bonds7

About 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide (PubChem CID 27259647) has the molecular formula C25H21ClN4O5 and a molecular weight of 492.92 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide
PubChem CID27259647
Molecular FormulaC25H21ClN4O5
Molecular Weight492.92 g/mol
Exact Mass492.12
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClN4O5/c26-18-9-11-19(12-10-18)35-15-16-5-7-17(8-6-16)23(32)29-28-22(31)13-14-30-21-4-2-1-3-20(21)24(33)27-25(30)34/h1-12H,13-15H2,(H,28,31)(H,29,32)(H,27,33,34)
InChIKeyHEUPQBWSSSTNQQ-UHFFFAOYSA-N
XLogP2.77
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.92
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 55847244
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
CID 55786769
4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
CID 24514091
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide (CID 27259647) is 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide?
The InChIKey is HEUPQBWSSSTNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O5/c26-18-9-11-19(12-10-18)35-15-16-5-7-17(8-6-16)23(32)29-28-22(31)13-14-30-21-4-2-1-3-20(21)24(33)27-25(30)34/h1-12H,13-15H2,(H,28,31)(H,29,32)(H,27,33,34).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide has a molecular weight of 492.92 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 27259647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).