N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine

C16H19N3O2 — CID 107419321

IUPACN-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
SMILESCC1CCCC1CNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H19N3O2/c1-11-3-2-4-13(11)10-17-16-8-5-12-9-14(19(20)21)6-7-15(12)18-16/h5-9,11,13H,2-4,10H2,1H3,(H,17,18)
InChIKeyVHRMLOURGXQTDV-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.99
Rot. Bonds4

About N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine

N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine (PubChem CID 107419321) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
PubChem CID107419321
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
SMILESCC1CCCC1CNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H19N3O2/c1-11-3-2-4-13(11)10-17-16-8-5-12-9-14(19(20)21)6-7-15(12)18-16/h5-9,11,13H,2-4,10H2,1H3,(H,17,18)
InChIKeyVHRMLOURGXQTDV-UHFFFAOYSA-N
XLogP3.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.99
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

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
6-nitro-N-propylquinolin-2-amine
CID 43450859
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133281367
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine
CID 133378444
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine (CID 107419321) is N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine is CC1CCCC1CNc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine?
The InChIKey is VHRMLOURGXQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-3-2-4-13(11)10-17-16-8-5-12-9-14(19(20)21)6-7-15(12)18-16/h5-9,11,13H,2-4,10H2,1H3,(H,17,18).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine?
N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine is sourced from PubChem (CID 107419321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).