N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine

C15H17N3O2 — CID 61366971

IUPACN-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
SMILESCC1(Nc2ccc3ncccc3c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C15H17N3O2/c1-15(8-2-3-9-15)17-13-7-6-12-11(5-4-10-16-12)14(13)18(19)20/h4-7,10,17H,2-3,8-9H2,1H3
InChIKeyFROYVSDTVOHTON-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.89
Rot. Bonds3

About N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine

N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine (PubChem CID 61366971) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine.

Molecular Properties

Compound NameN-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
PubChem CID61366971
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
SMILESCC1(Nc2ccc3ncccc3c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C15H17N3O2/c1-15(8-2-3-9-15)17-13-7-6-12-11(5-4-10-16-12)14(13)18(19)20/h4-7,10,17H,2-3,8-9H2,1H3
InChIKeyFROYVSDTVOHTON-UHFFFAOYSA-N
XLogP3.89
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine?
The IUPAC name of N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine (CID 61366971) is N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine.
What is the SMILES notation for N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine?
The canonical SMILES for N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine is CC1(Nc2ccc3ncccc3c2[N+](=O)[O-])CCCC1.
What is the InChIKey of N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine?
The InChIKey is FROYVSDTVOHTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(8-2-3-9-15)17-13-7-6-12-11(5-4-10-16-12)14(13)18(19)20/h4-7,10,17H,2-3,8-9H2,1H3.
What are the key properties of N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine?
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine has a molecular weight of 271.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine is sourced from PubChem (CID 61366971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).