N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide

C31H18N4O3 — CID 126343294

IUPACN-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C31H18N4O3/c36-29(19-9-13-21(14-10-19)35-30(37)23-7-3-4-8-24(23)31(35)38)32-20-12-16-25-27(17-20)34-28-22-6-2-1-5-18(22)11-15-26(28)33-25/h1-17H,(H,32,36)
InChIKeyYGGGMJHNWQRWFP-UHFFFAOYSA-N
MW494.51 g/mol
LogP5.99
Rot. Bonds3

About N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide

N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 126343294) has the molecular formula C31H18N4O3 and a molecular weight of 494.51 g/mol. Its IUPAC name is N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID126343294
Molecular FormulaC31H18N4O3
Molecular Weight494.51 g/mol
Exact Mass494.14
IUPAC NameN-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C31H18N4O3/c36-29(19-9-13-21(14-10-19)35-30(37)23-7-3-4-8-24(23)31(35)38)32-20-12-16-25-27(17-20)34-28-22-6-2-1-5-18(22)11-15-26(28)33-25/h1-17H,(H,32,36)
InChIKeyYGGGMJHNWQRWFP-UHFFFAOYSA-N
XLogP5.99
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 15991864
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1188835
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 4826631

Frequently Asked Questions

What is the IUPAC name of N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 126343294) is N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide is O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is YGGGMJHNWQRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4O3/c36-29(19-9-13-21(14-10-19)35-30(37)23-7-3-4-8-24(23)31(35)38)32-20-12-16-25-27(17-20)34-28-22-6-2-1-5-18(22)11-15-26(28)33-25/h1-17H,(H,32,36).
What are the key properties of N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 494.51 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 126343294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).