N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

C24H18N4O5 — CID 30838983

IUPACN-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H18N4O5/c29-22(12-28-13-25-19-7-2-1-6-18(19)24(28)31)26-16-4-3-5-17(11-16)27-23(30)15-8-9-20-21(10-15)33-14-32-20/h1-11,13H,12,14H2,(H,26,29)(H,27,30)
InChIKeyBPOYPUJCCIQDFS-UHFFFAOYSA-N
MW442.43 g/mol
LogP3.02
Rot. Bonds5

About N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 30838983) has the molecular formula C24H18N4O5 and a molecular weight of 442.43 g/mol. Its IUPAC name is N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID30838983
Molecular FormulaC24H18N4O5
Molecular Weight442.43 g/mol
Exact Mass442.13
IUPAC NameN-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H18N4O5/c29-22(12-28-13-25-19-7-2-1-6-18(19)24(28)31)26-16-4-3-5-17(11-16)27-23(30)15-8-9-20-21(10-15)33-14-32-20/h1-11,13H,12,14H2,(H,26,29)(H,27,30)
InChIKeyBPOYPUJCCIQDFS-UHFFFAOYSA-N
XLogP3.02
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9450450
N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 87042396
N-[3-(propanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 647324
N-(1,3-benzodioxol-5-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227348
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 30510117
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 30838983) is N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is BPOYPUJCCIQDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5/c29-22(12-28-13-25-19-7-2-1-6-18(19)24(28)31)26-16-4-3-5-17(11-16)27-23(30)15-8-9-20-21(10-15)33-14-32-20/h1-11,13H,12,14H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 442.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 30838983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).