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

C23H26N4O6 — CID 55566505

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C23H26N4O6/c1-31-13-22(29)26-16-7-4-6-15(10-16)25-21(28)8-5-9-27-14-24-18-12-20(33-3)19(32-2)11-17(18)23(27)30/h4,6-7,10-12,14H,5,8-9,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBRTHRCYMUUMCKM-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.42
Rot. Bonds10

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

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide (PubChem CID 55566505) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
PubChem CID55566505
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C23H26N4O6/c1-31-13-22(29)26-16-7-4-6-15(10-16)25-21(28)8-5-9-27-14-24-18-12-20(33-3)19(32-2)11-17(18)23(27)30/h4,6-7,10-12,14H,5,8-9,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBRTHRCYMUUMCKM-UHFFFAOYSA-N
XLogP2.42
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
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-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 55456627
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 46680595
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1H-indazol-7-yl)butanamide
CID 55547797
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
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-[3-[(2-methoxyacetyl)amino]phenyl]butanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide (CID 55566505) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide is COCC(=O)Nc1cccc(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)c1.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide?
The InChIKey is BRTHRCYMUUMCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-31-13-22(29)26-16-7-4-6-15(10-16)25-21(28)8-5-9-27-14-24-18-12-20(33-3)19(32-2)11-17(18)23(27)30/h4,6-7,10-12,14H,5,8-9,13H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide has a molecular weight of 454.48 g/mol, XLogP of 2.42, 10 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-[3-[(2-methoxyacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 55566505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).