2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide

C23H23N7O3 — CID 122603765

IUPAC2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide
SMILESCC(=O)N1CCN(c2ccc3ncn(CC(=O)NCc4ccc(C#N)nc4)c(=O)c3c2)CC1
InChIInChI=1S/C23H23N7O3/c1-16(31)28-6-8-29(9-7-28)19-4-5-21-20(10-19)23(33)30(15-27-21)14-22(32)26-13-17-2-3-18(11-24)25-12-17/h2-5,10,12,15H,6-9,13-14H2,1H3,(H,26,32)
InChIKeyYPPZEPLXOGSUIF-UHFFFAOYSA-N
MW445.48 g/mol
LogP0.65
Rot. Bonds5

About 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide

2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide (PubChem CID 122603765) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide
PubChem CID122603765
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide
SMILESCC(=O)N1CCN(c2ccc3ncn(CC(=O)NCc4ccc(C#N)nc4)c(=O)c3c2)CC1
InChIInChI=1S/C23H23N7O3/c1-16(31)28-6-8-29(9-7-28)19-4-5-21-20(10-19)23(33)30(15-27-21)14-22(32)26-13-17-2-3-18(11-24)25-12-17/h2-5,10,12,15H,6-9,13-14H2,1H3,(H,26,32)
InChIKeyYPPZEPLXOGSUIF-UHFFFAOYSA-N
XLogP0.65
TPSA124.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-chloro-3-pyridinyl)methyl]acetamide
CID 122603636
methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
CID 122603685
N-[(3,4-dichlorophenyl)methyl]-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 122603807
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 122603669
4-[4-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-3-oxobutyl]-3-methoxybenzonitrile
CID 161162995
2-[6-(4-cyclopentylsulfonylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 122603687
6-(4-acetyl-1,4-diazepan-1-yl)-3-[2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]quinazolin-4-one
CID 159708033
2-[6-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 122603818
N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
CID 133369980
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
6-(4-acetylpiperazin-1-yl)-3-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]quinazolin-4-one
CID 172635975
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide (CID 122603765) is 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide is CC(=O)N1CCN(c2ccc3ncn(CC(=O)NCc4ccc(C#N)nc4)c(=O)c3c2)CC1.
What is the InChIKey of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide?
The InChIKey is YPPZEPLXOGSUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-16(31)28-6-8-29(9-7-28)19-4-5-21-20(10-19)23(33)30(15-27-21)14-22(32)26-13-17-2-3-18(11-24)25-12-17/h2-5,10,12,15H,6-9,13-14H2,1H3,(H,26,32).
What are the key properties of 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide?
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(6-cyano-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 122603765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).