2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone

C24H17N3O2 — CID 170860103

IUPAC2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
SMILESNCC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12
InChIInChI=1S/C24H17N3O2/c25-14-21(28)18-13-20(24(29)17-5-2-1-3-6-17)27-19(18)11-10-16-9-8-15-7-4-12-26-22(15)23(16)27/h1-13H,14,25H2
InChIKeyMOTPHBMXRDCNIE-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.01
Rot. Bonds4

About 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone

2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone (PubChem CID 170860103) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
PubChem CID170860103
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
SMILESNCC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12
InChIInChI=1S/C24H17N3O2/c25-14-21(28)18-13-20(24(29)17-5-2-1-3-6-17)27-19(18)11-10-16-9-8-15-7-4-12-26-22(15)23(16)27/h1-13H,14,25H2
InChIKeyMOTPHBMXRDCNIE-UHFFFAOYSA-N
XLogP4.01
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 11-(4-fluorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate
CID 5215884
1-(3-benzoyl-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-5-yl)ethanone
CID 15373756
phenyl-(2-phenylpyrazolo[1,5-a][1,10]phenanthrolin-3-yl)methanone
CID 154585983
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
diethyl 11-(4-chlorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate
CID 45051509
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
2-amino-1-[7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
CID 170860077
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
quinoline-7,8-dicarboxylic acid
CID 19101920
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
CID 168677969

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
The IUPAC name of 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone (CID 170860103) is 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone.
What is the SMILES notation for 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
The canonical SMILES for 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone is NCC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12.
What is the InChIKey of 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
The InChIKey is MOTPHBMXRDCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-14-21(28)18-13-20(24(29)17-5-2-1-3-6-17)27-19(18)11-10-16-9-8-15-7-4-12-26-22(15)23(16)27/h1-13H,14,25H2.
What are the key properties of 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone has a molecular weight of 379.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone is sourced from PubChem (CID 170860103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).