4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide

C20H20N4O5 — CID 39377637

IUPAC4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
SMILESCOc1cc2ncn(CCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c2cc1OC
InChIInChI=1S/C20H20N4O5/c1-28-16-9-14-15(10-17(16)29-2)22-11-24(20(14)27)8-7-18(25)23-13-5-3-12(4-6-13)19(21)26/h3-6,9-11H,7-8H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyZURNHYIBFRWMKL-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.54
Rot. Bonds7

About 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide

4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide (PubChem CID 39377637) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
PubChem CID39377637
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
SMILESCOc1cc2ncn(CCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c2cc1OC
InChIInChI=1S/C20H20N4O5/c1-28-16-9-14-15(10-17(16)29-2)22-11-24(20(14)27)8-7-18(25)23-13-5-3-12(4-6-13)19(21)26/h3-6,9-11H,7-8H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyZURNHYIBFRWMKL-UHFFFAOYSA-N
XLogP1.54
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 45493274
N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55784153
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 46680595
methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-4-methylpentanoate
CID 45490464
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
The IUPAC name of 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide (CID 39377637) is 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide.
What is the SMILES notation for 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
The canonical SMILES for 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide is COc1cc2ncn(CCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
The InChIKey is ZURNHYIBFRWMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-28-16-9-14-15(10-17(16)29-2)22-11-24(20(14)27)8-7-18(25)23-13-5-3-12(4-6-13)19(21)26/h3-6,9-11H,7-8H2,1-2H3,(H2,21,26)(H,23,25).
What are the key properties of 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide?
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide has a molecular weight of 396.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 39377637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).