N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine

C16H11N7O2 — CID 22537695

IUPACN-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
SMILESO=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1-n1ccnc1
InChIInChI=1S/C16H11N7O2/c24-23(25)14-15(19-9-20-16(14)22-8-7-17-10-22)21-13-5-1-4-12-11(13)3-2-6-18-12/h1-10H,(H,19,20,21)
InChIKeyGLMPNGUXBGIZNB-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.86
Rot. Bonds4

About N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine

N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine (PubChem CID 22537695) has the molecular formula C16H11N7O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
PubChem CID22537695
Molecular FormulaC16H11N7O2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC NameN-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
SMILESO=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1-n1ccnc1
InChIInChI=1S/C16H11N7O2/c24-23(25)14-15(19-9-20-16(14)22-8-7-17-10-22)21-13-5-1-4-12-11(13)3-2-6-18-12/h1-10H,(H,19,20,21)
InChIKeyGLMPNGUXBGIZNB-UHFFFAOYSA-N
XLogP2.86
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
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 N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine 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

5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22528153
N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22538661
6-N-(3,4-dimethylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484927
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23483626
5-nitro-6-N-(2-phenylethyl)-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23490007
6-N-(3-bromophenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22537646
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22531222
6-N-(3-chloro-4-methylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23485353
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22531273
N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536631
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23479805

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine?
The IUPAC name of N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine (CID 22537695) is N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine.
What is the SMILES notation for N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine?
The canonical SMILES for N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine is O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1-n1ccnc1.
What is the InChIKey of N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine?
The InChIKey is GLMPNGUXBGIZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O2/c24-23(25)14-15(19-9-20-16(14)22-8-7-17-10-22)21-13-5-1-4-12-11(13)3-2-6-18-12/h1-10H,(H,19,20,21).
What are the key properties of N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine?
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine has a molecular weight of 333.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine is sourced from PubChem (CID 22537695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).