N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine

C16H17N3O2 — CID 60723743

IUPACN-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c2ncccc12
InChIInChI=1S/C16H17N3O2/c20-19(21)14-8-7-13(16-12(14)2-1-9-17-16)18-15(10-3-4-10)11-5-6-11/h1-2,7-11,15,18H,3-6H2
InChIKeyCHNMDGWRRKWRFL-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.74
Rot. Bonds5

About N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine

N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine (PubChem CID 60723743) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
PubChem CID60723743
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c2ncccc12
InChIInChI=1S/C16H17N3O2/c20-19(21)14-8-7-13(16-12(14)2-1-9-17-16)18-15(10-3-4-10)11-5-6-11/h1-2,7-11,15,18H,3-6H2
InChIKeyCHNMDGWRRKWRFL-UHFFFAOYSA-N
XLogP3.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
3-methyl-2-[(5-nitroquinolin-8-yl)amino]butanamide
CID 106346065
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-(4-methylsulfanylbutan-2-yl)-5-nitroquinolin-8-amine
CID 115637728
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 31655000
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
1-cyclopropyl-4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 133357470
N-(2,5-dimethylpyrrol-1-yl)-5-nitroquinolin-8-amine
CID 79108207

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine (CID 60723743) is N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine is O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c2ncccc12.
What is the InChIKey of N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine?
The InChIKey is CHNMDGWRRKWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-19(21)14-8-7-13(16-12(14)2-1-9-17-16)18-15(10-3-4-10)11-5-6-11/h1-2,7-11,15,18H,3-6H2.
What are the key properties of N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine?
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine has a molecular weight of 283.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 60723743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).