N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C24H20N8O2 — CID 122291669

IUPACN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc(Nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C24H20N8O2/c1-16-27-21(12-22(28-16)31-11-10-25-14-31)29-17-6-8-18(9-7-17)30-23(33)13-32-15-26-20-5-3-2-4-19(20)24(32)34/h2-12,14-15H,13H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyCIZJRYXAWPKPHF-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.06
Rot. Bonds6

About N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 122291669) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID122291669
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc(Nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C24H20N8O2/c1-16-27-21(12-22(28-16)31-11-10-25-14-31)29-17-6-8-18(9-7-17)30-23(33)13-32-15-26-20-5-3-2-4-19(20)24(32)34/h2-12,14-15H,13H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyCIZJRYXAWPKPHF-UHFFFAOYSA-N
XLogP3.06
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122291620

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 122291669) is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1nc(Nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is CIZJRYXAWPKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-16-27-21(12-22(28-16)31-11-10-25-14-31)29-17-6-8-18(9-7-17)30-23(33)13-32-15-26-20-5-3-2-4-19(20)24(32)34/h2-12,14-15H,13H2,1H3,(H,30,33)(H,27,28,29).
What are the key properties of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 452.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 122291669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).