4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide

C23H25N5O5 — CID 46680595

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESCOc1cc2ncn(CCCC(=O)Nc3ccc(N4CCNC4=O)cc3)c(=O)c2cc1OC
InChIInChI=1S/C23H25N5O5/c1-32-19-12-17-18(13-20(19)33-2)25-14-27(22(17)30)10-3-4-21(29)26-15-5-7-16(8-6-15)28-11-9-24-23(28)31/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,24,31)(H,26,29)
InChIKeyMXABPZFNVWGPIZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.36
Rot. Bonds8

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 46680595) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID46680595
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESCOc1cc2ncn(CCCC(=O)Nc3ccc(N4CCNC4=O)cc3)c(=O)c2cc1OC
InChIInChI=1S/C23H25N5O5/c1-32-19-12-17-18(13-20(19)33-2)25-14-27(22(17)30)10-3-4-21(29)26-15-5-7-16(8-6-15)28-11-9-24-23(28)31/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,24,31)(H,26,29)
InChIKeyMXABPZFNVWGPIZ-UHFFFAOYSA-N
XLogP2.36
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide with MolForge

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55784153
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide
CID 55681411
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-piperidin-3-ylbutanamide
CID 119427582
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-pyrrolidin-1-ylbenzoate
CID 55515079
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55456466
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide (CID 46680595) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide is COc1cc2ncn(CCCC(=O)Nc3ccc(N4CCNC4=O)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is MXABPZFNVWGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-32-19-12-17-18(13-20(19)33-2)25-14-27(22(17)30)10-3-4-21(29)26-15-5-7-16(8-6-15)28-11-9-24-23(28)31/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,24,31)(H,26,29).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 451.48 g/mol, XLogP of 2.36, 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-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 46680595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).