N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine

C16H21N3O2 — CID 63839044

IUPACN-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
SMILESCCC(CC)C(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H21N3O2/c1-4-12(5-2)11(3)17-16-9-6-13-10-14(19(20)21)7-8-15(13)18-16/h6-12H,4-5H2,1-3H3,(H,17,18)
InChIKeyWETPFSWGEQRYBE-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.38
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine

N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine (PubChem CID 63839044) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
PubChem CID63839044
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
SMILESCCC(CC)C(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H21N3O2/c1-4-12(5-2)11(3)17-16-9-6-13-10-14(19(20)21)7-8-15(13)18-16/h6-12H,4-5H2,1-3H3,(H,17,18)
InChIKeyWETPFSWGEQRYBE-UHFFFAOYSA-N
XLogP4.38
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.38
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-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
CID 133273649
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63200183
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid
CID 62697311
2-chloro-N-(3-ethylpentan-2-yl)-4-nitroaniline
CID 63837104
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine (CID 63839044) is N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine is CCC(CC)C(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine?
The InChIKey is WETPFSWGEQRYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-12(5-2)11(3)17-16-9-6-13-10-14(19(20)21)7-8-15(13)18-16/h6-12H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine?
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 63839044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).