N-(4-methoxybutyl)-6-nitroquinolin-2-amine

C14H17N3O3 — CID 60964821

IUPACN-(4-methoxybutyl)-6-nitroquinolin-2-amine
SMILESCOCCCCNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N3O3/c1-20-9-3-2-8-15-14-7-4-11-10-12(17(18)19)5-6-13(11)16-14/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyIVTCLTYKXFMYCA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds7

About N-(4-methoxybutyl)-6-nitroquinolin-2-amine

N-(4-methoxybutyl)-6-nitroquinolin-2-amine (PubChem CID 60964821) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-methoxybutyl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-6-nitroquinolin-2-amine
PubChem CID60964821
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-methoxybutyl)-6-nitroquinolin-2-amine
SMILESCOCCCCNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N3O3/c1-20-9-3-2-8-15-14-7-4-11-10-12(17(18)19)5-6-13(11)16-14/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyIVTCLTYKXFMYCA-UHFFFAOYSA-N
XLogP2.98
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(4-methoxybutyl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(4-methoxybutyl)-6-nitroquinolin-2-amine (CID 60964821) is N-(4-methoxybutyl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(4-methoxybutyl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(4-methoxybutyl)-6-nitroquinolin-2-amine is COCCCCNc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(4-methoxybutyl)-6-nitroquinolin-2-amine?
The InChIKey is IVTCLTYKXFMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-9-3-2-8-15-14-7-4-11-10-12(17(18)19)5-6-13(11)16-14/h4-7,10H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methoxybutyl)-6-nitroquinolin-2-amine?
N-(4-methoxybutyl)-6-nitroquinolin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 60964821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).