3-nitro-4-pentylquinolin-2-amine

C14H17N3O2 — CID 67636144

IUPAC3-nitro-4-pentylquinolin-2-amine
SMILESCCCCCc1c([N+](=O)[O-])c(N)nc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)16-14(15)13(11)17(18)19/h5-7,9H,2-4,8H2,1H3,(H2,15,16)
InChIKeyIURWRDKLPIKJAE-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.46
Rot. Bonds5

About 3-nitro-4-pentylquinolin-2-amine

3-nitro-4-pentylquinolin-2-amine (PubChem CID 67636144) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-nitro-4-pentylquinolin-2-amine.

Molecular Properties

Compound Name3-nitro-4-pentylquinolin-2-amine
PubChem CID67636144
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-nitro-4-pentylquinolin-2-amine
SMILESCCCCCc1c([N+](=O)[O-])c(N)nc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)16-14(15)13(11)17(18)19/h5-7,9H,2-4,8H2,1H3,(H2,15,16)
InChIKeyIURWRDKLPIKJAE-UHFFFAOYSA-N
XLogP3.46
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-nitro-4-pentylquinolin-2-amine?
The IUPAC name of 3-nitro-4-pentylquinolin-2-amine (CID 67636144) is 3-nitro-4-pentylquinolin-2-amine.
What is the SMILES notation for 3-nitro-4-pentylquinolin-2-amine?
The canonical SMILES for 3-nitro-4-pentylquinolin-2-amine is CCCCCc1c([N+](=O)[O-])c(N)nc2ccccc12.
What is the InChIKey of 3-nitro-4-pentylquinolin-2-amine?
The InChIKey is IURWRDKLPIKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)16-14(15)13(11)17(18)19/h5-7,9H,2-4,8H2,1H3,(H2,15,16).
What are the key properties of 3-nitro-4-pentylquinolin-2-amine?
3-nitro-4-pentylquinolin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-pentylquinolin-2-amine is sourced from PubChem (CID 67636144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).