[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium

C17H13ClN3O3+ — CID 4099001

IUPAC[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium
SMILESNC(=[NH+]NC(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H12ClN3O3/c18-12-7-5-10(6-8-12)16(22)21-20-15(19)13-9-11-3-1-2-4-14(11)24-17(13)23/h1-9H,(H2,19,20)(H,21,22)/p+1
InChIKeyJOMOQMHEGOHRON-UHFFFAOYSA-O
MW342.76 g/mol
LogP0.58
Rot. Bonds3

About [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium

[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium (PubChem CID 4099001) has the molecular formula C17H13ClN3O3+ and a molecular weight of 342.76 g/mol. Its IUPAC name is [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium.

Molecular Properties

Compound Name[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium
PubChem CID4099001
Molecular FormulaC17H13ClN3O3+
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC Name[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium
SMILESNC(=[NH+]NC(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H12ClN3O3/c18-12-7-5-10(6-8-12)16(22)21-20-15(19)13-9-11-3-1-2-4-14(11)24-17(13)23/h1-9H,(H2,19,20)(H,21,22)/p+1
InChIKeyJOMOQMHEGOHRON-UHFFFAOYSA-O
XLogP0.58
TPSA99.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium 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

acetamido-[amino-(2-oxochromen-3-yl)methylidene]azanium
CID 4583813
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
(4-chlorophenyl)methyl 2-oxochromene-3-carboxylate
CID 962039
acetamido-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]azanium
CID 6989424
3-[(2S,3R)-3-(4-chlorophenyl)oxirane-2-carbonyl]chromen-2-one
CID 11198188
N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
CID 135517452
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
3-[(E)-3-(4-chloroanilino)prop-2-enoyl]chromen-2-one
CID 175672888
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-oxochromene-3-carboxylate
CID 3766105
N-[(3-chlorophenyl)methyl]-N-[4-(methylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 175469924
2-oxochromene-3-carboxylic acid
CID 161011590

Frequently Asked Questions

What is the IUPAC name of [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium?
The IUPAC name of [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium (CID 4099001) is [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium.
What is the SMILES notation for [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium?
The canonical SMILES for [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium is NC(=[NH+]NC(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium?
The InChIKey is JOMOQMHEGOHRON-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H12ClN3O3/c18-12-7-5-10(6-8-12)16(22)21-20-15(19)13-9-11-3-1-2-4-14(11)24-17(13)23/h1-9H,(H2,19,20)(H,21,22)/p+1.
What are the key properties of [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium?
[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium has a molecular weight of 342.76 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium is sourced from PubChem (CID 4099001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).