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

C25H18N4O3 — CID 145361634

IUPACN-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide
SMILESO=C(Cn1c(=O)c2ccccc2n2cncc12)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H18N4O3/c30-22(17-10-12-19(13-11-17)27-24(31)18-6-2-1-3-7-18)15-28-23-14-26-16-29(23)21-9-5-4-8-20(21)25(28)32/h1-14,16H,15H2,(H,27,31)
InChIKeyCVHKUTNGFHMTEV-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.78
Rot. Bonds5

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

N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide (PubChem CID 145361634) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide
PubChem CID145361634
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC NameN-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide
SMILESO=C(Cn1c(=O)c2ccccc2n2cncc12)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H18N4O3/c30-22(17-10-12-19(13-11-17)27-24(31)18-6-2-1-3-7-18)15-28-23-14-26-16-29(23)21-9-5-4-8-20(21)25(28)32/h1-14,16H,15H2,(H,27,31)
InChIKeyCVHKUTNGFHMTEV-UHFFFAOYSA-N
XLogP3.78
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 145361705
2-(4-methylphenyl)-N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]acetamide
CID 145361664
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-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
CID 48730150
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
4-[2-(2,5-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361679
1,5-dioxo-2-phenacyl-N-propan-2-yl-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774752
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
CID 126458404

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide (CID 145361634) is N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide is O=C(Cn1c(=O)c2ccccc2n2cncc12)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide?
The InChIKey is CVHKUTNGFHMTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-22(17-10-12-19(13-11-17)27-24(31)18-6-2-1-3-7-18)15-28-23-14-26-16-29(23)21-9-5-4-8-20(21)25(28)32/h1-14,16H,15H2,(H,27,31).
What are the key properties of N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide?
N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide has a molecular weight of 422.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-oxoimidazo[1,5-a]quinazolin-4-yl)acetyl]phenyl]benzamide is sourced from PubChem (CID 145361634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).