N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine

C14H17N3O2 — CID 63199554

IUPACN-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
SMILESCNC(C)C(C)c1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H17N3O2/c1-9(10(2)15-3)11-6-7-13(17(18)19)14-12(11)5-4-8-16-14/h4-10,15H,1-3H3
InChIKeyFPYQFLMVTGUYCP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.85
Rot. Bonds4

About N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine

N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine (PubChem CID 63199554) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
PubChem CID63199554
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
SMILESCNC(C)C(C)c1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H17N3O2/c1-9(10(2)15-3)11-6-7-13(17(18)19)14-12(11)5-4-8-16-14/h4-10,15H,1-3H3
InChIKeyFPYQFLMVTGUYCP-UHFFFAOYSA-N
XLogP2.85
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.85
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-methyl-2-(8-nitroquinolin-5-yl)pentan-3-amine
CID 63561738
3-(8-nitroquinolin-5-yl)-N-propylbutan-2-amine
CID 63199376
3-(8-nitroquinolin-4-yl)-N-propylbutan-2-amine
CID 83067409
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
5-methylsulfanyl-8-nitroquinoline
CID 75480915
8-(3-chloropentan-2-yl)-5-nitroquinoline
CID 63562340
8-(3-bromopentan-2-yl)-5-nitroquinoline
CID 63559687
N,3,3-trimethyl-1-(5-nitroquinolin-8-yl)butan-2-amine
CID 63198005
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine (CID 63199554) is N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine is CNC(C)C(C)c1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine?
The InChIKey is FPYQFLMVTGUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(10(2)15-3)11-6-7-13(17(18)19)14-12(11)5-4-8-16-14/h4-10,15H,1-3H3.
What are the key properties of N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine?
N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine is sourced from PubChem (CID 63199554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).