N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine

C16H21N3O2 — CID 63198504

IUPACN-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine
SMILESCCCC(Cc1ccc([N+](=O)[O-])c2cccnc12)NCC
InChIInChI=1S/C16H21N3O2/c1-3-6-13(17-4-2)11-12-8-9-15(19(20)21)14-7-5-10-18-16(12)14/h5,7-10,13,17H,3-4,6,11H2,1-2H3
InChIKeyMRCICVKASZYXHN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine

N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine (PubChem CID 63198504) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine
PubChem CID63198504
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine
SMILESCCCC(Cc1ccc([N+](=O)[O-])c2cccnc12)NCC
InChIInChI=1S/C16H21N3O2/c1-3-6-13(17-4-2)11-12-8-9-15(19(20)21)14-7-5-10-18-16(12)14/h5,7-10,13,17H,3-4,6,11H2,1-2H3
InChIKeyMRCICVKASZYXHN-UHFFFAOYSA-N
XLogP3.46
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.46
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

8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
8-(2-chloro-3,3-dimethylbutyl)-5-nitroquinoline
CID 63202485
N,3,3-trimethyl-1-(5-nitroquinolin-8-yl)butan-2-amine
CID 63198005
N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine
CID 63198594
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
CID 120712483
5-(2-chlorobutyl)-8-nitroquinoline
CID 63202545
1-methoxy-3-(5-nitroquinolin-8-yl)propan-2-one
CID 55163350
3-(8-nitroquinolin-5-yl)-N-propylbutan-2-amine
CID 63199376
N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine
CID 63197163
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine (CID 63198504) is N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine is CCCC(Cc1ccc([N+](=O)[O-])c2cccnc12)NCC.
What is the InChIKey of N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine?
The InChIKey is MRCICVKASZYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-6-13(17-4-2)11-12-8-9-15(19(20)21)14-7-5-10-18-16(12)14/h5,7-10,13,17H,3-4,6,11H2,1-2H3.
What are the key properties of N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine?
N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine has a molecular weight of 287.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine is sourced from PubChem (CID 63198504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).