2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide

C27H22N4O3 — CID 145361664

IUPAC2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(C(=O)Cn3c(=O)c4ccccc4n4cncc34)cc2)cc1
InChIInChI=1S/C27H22N4O3/c1-18-6-8-19(9-7-18)14-25(33)29-21-12-10-20(11-13-21)24(32)16-30-26-15-28-17-31(26)23-5-3-2-4-22(23)27(30)34/h2-13,15,17H,14,16H2,1H3,(H,29,33)
InChIKeyNYYORHCVKDYBEN-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.02
Rot. Bonds6

About 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide

2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide (PubChem CID 145361664) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide
PubChem CID145361664
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(C(=O)Cn3c(=O)c4ccccc4n4cncc34)cc2)cc1
InChIInChI=1S/C27H22N4O3/c1-18-6-8-19(9-7-18)14-25(33)29-21-12-10-20(11-13-21)24(32)16-30-26-15-28-17-31(26)23-5-3-2-4-22(23)27(30)34/h2-13,15,17H,14,16H2,1H3,(H,29,33)
InChIKeyNYYORHCVKDYBEN-UHFFFAOYSA-N
XLogP4.02
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide
CID 145361634
4-[2-(4-fluorophenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361713
4-[2-(4-methoxyphenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361629
4-(2-naphthalen-2-yl-2-oxoethyl)imidazo[1,5-a]quinazolin-5-one
CID 145361690
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762645
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
N-(4-ethylphenyl)-2-[4-[(4-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50769046
2-[2-(4-fluorophenyl)-2-oxoethyl]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058723
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
2-[4-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(3-methylbutyl)acetamide
CID 50763139

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide (CID 145361664) is 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(C(=O)Cn3c(=O)c4ccccc4n4cncc34)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide?
The InChIKey is NYYORHCVKDYBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-18-6-8-19(9-7-18)14-25(33)29-21-12-10-20(11-13-21)24(32)16-30-26-15-28-17-31(26)23-5-3-2-4-22(23)27(30)34/h2-13,15,17H,14,16H2,1H3,(H,29,33).
What are the key properties of 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide?
2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 145361664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).