4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide

C22H24N4O5 — CID 46520770

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
SMILESCOc1cc2ncn(CCCC(=O)NNC(=O)Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C22H24N4O5/c1-30-18-12-16-17(13-19(18)31-2)23-14-26(22(16)29)10-6-9-20(27)24-25-21(28)11-15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJIEAVACTGQFXNS-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.58
Rot. Bonds8

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide (PubChem CID 46520770) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
PubChem CID46520770
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
SMILESCOc1cc2ncn(CCCC(=O)NNC(=O)Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C22H24N4O5/c1-30-18-12-16-17(13-19(18)31-2)23-14-26(22(16)29)10-6-9-20(27)24-25-21(28)11-15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJIEAVACTGQFXNS-UHFFFAOYSA-N
XLogP1.58
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55522180
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide
CID 46657662
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
N-[2-(4-tert-butylphenyl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46442118
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]butanamide
CID 46477188

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide (CID 46520770) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide is COc1cc2ncn(CCCC(=O)NNC(=O)Cc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
The InChIKey is JIEAVACTGQFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-30-18-12-16-17(13-19(18)31-2)23-14-26(22(16)29)10-6-9-20(27)24-25-21(28)11-15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide has a molecular weight of 424.46 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide is sourced from PubChem (CID 46520770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).