N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine

C15H19N5O2 — CID 133306017

IUPACN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
SMILESCC1NNC(C)C1CNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H19N5O2/c1-9-13(10(2)19-18-9)8-16-15-6-3-11-7-12(20(21)22)4-5-14(11)17-15/h3-7,9-10,13,18-19H,8H2,1-2H3,(H,16,17)
InChIKeyBWNUGTYHZPUBEG-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.06
Rot. Bonds4

About N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine (PubChem CID 133306017) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
PubChem CID133306017
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
SMILESCC1NNC(C)C1CNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H19N5O2/c1-9-13(10(2)19-18-9)8-16-15-6-3-11-7-12(20(21)22)4-5-14(11)17-15/h3-7,9-10,13,18-19H,8H2,1-2H3,(H,16,17)
InChIKeyBWNUGTYHZPUBEG-UHFFFAOYSA-N
XLogP2.06
TPSA92.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
CID 107419321
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
6-nitro-N-propylquinolin-2-amine
CID 43450859
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
CID 104577433
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
CID 107143500
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133281367

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine?
The IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine (CID 133306017) is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine is CC1NNC(C)C1CNc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine?
The InChIKey is BWNUGTYHZPUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-13(10(2)19-18-9)8-16-15-6-3-11-7-12(20(21)22)4-5-14(11)17-15/h3-7,9-10,13,18-19H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine?
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine is sourced from PubChem (CID 133306017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).