4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide

C23H25FN4O6 — CID 46657662

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide
SMILESCOc1cc2ncn(CCCC(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c(=O)c2cc1OC
InChIInChI=1S/C23H25FN4O6/c1-14(34-16-8-6-15(24)7-9-16)22(30)27-26-21(29)5-4-10-28-13-25-18-12-20(33-3)19(32-2)11-17(18)23(28)31/h6-9,11-14H,4-5,10H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWTCNMVHWBHPUQW-UHFFFAOYSA-N
MW472.47 g/mol
LogP1.95
Rot. Bonds9

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide (PubChem CID 46657662) has the molecular formula C23H25FN4O6 and a molecular weight of 472.47 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide
PubChem CID46657662
Molecular FormulaC23H25FN4O6
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide
SMILESCOc1cc2ncn(CCCC(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c(=O)c2cc1OC
InChIInChI=1S/C23H25FN4O6/c1-14(34-16-8-6-15(24)7-9-16)22(30)27-26-21(29)5-4-10-28-13-25-18-12-20(33-3)19(32-2)11-17(18)23(28)31/h6-9,11-14H,4-5,10H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWTCNMVHWBHPUQW-UHFFFAOYSA-N
XLogP1.95
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-phenylacetyl)butanehydrazide
CID 46520770
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
CID 46470686
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-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide
CID 55455208
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
(4-bromo-2-fluorophenyl) 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55456037
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55471462
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55498142
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide (CID 46657662) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide is COc1cc2ncn(CCCC(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide?
The InChIKey is WTCNMVHWBHPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O6/c1-14(34-16-8-6-15(24)7-9-16)22(30)27-26-21(29)5-4-10-28-13-25-18-12-20(33-3)19(32-2)11-17(18)23(28)31/h6-9,11-14H,4-5,10H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide has a molecular weight of 472.47 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide is sourced from PubChem (CID 46657662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).