2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide

C20H14ClN7O3 — CID 22535872

IUPAC2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C20H14ClN7O3/c21-14-7-2-1-5-12(14)20(29)27-26-19-17(28(30)31)18(23-11-24-19)25-16-9-3-8-15-13(16)6-4-10-22-15/h1-11H,(H,27,29)(H2,23,24,25,26)
InChIKeyFNMSSSUEXFDYAD-UHFFFAOYSA-N
MW435.83 g/mol
LogP4.09
Rot. Bonds6

About 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide

2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide (PubChem CID 22535872) has the molecular formula C20H14ClN7O3 and a molecular weight of 435.83 g/mol. Its IUPAC name is 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
PubChem CID22535872
Molecular FormulaC20H14ClN7O3
Molecular Weight435.83 g/mol
Exact Mass435.08
IUPAC Name2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C20H14ClN7O3/c21-14-7-2-1-5-12(14)20(29)27-26-19-17(28(30)31)18(23-11-24-19)25-16-9-3-8-15-13(16)6-4-10-22-15/h1-11H,(H,27,29)(H2,23,24,25,26)
InChIKeyFNMSSSUEXFDYAD-UHFFFAOYSA-N
XLogP4.09
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.83
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide 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

2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109
4-chloro-3-nitro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536262
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536631
4-methyl-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535108
2-bromo-N'-[6-(2,3-dichloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22530943
ethyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate
CID 22537681
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22531222
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23483626
2-fluoro-N'-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527560
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
N'-[6-(2,5-dichloroanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22530819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide (CID 22535872) is 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide is O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is FNMSSSUEXFDYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN7O3/c21-14-7-2-1-5-12(14)20(29)27-26-19-17(28(30)31)18(23-11-24-19)25-16-9-3-8-15-13(16)6-4-10-22-15/h1-11H,(H,27,29)(H2,23,24,25,26).
What are the key properties of 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide?
2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 435.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22535872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).