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

C15H19N3O2 — CID 61463580

IUPACN-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
SMILESCCC(C)C(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H19N3O2/c1-4-10(2)11(3)16-15-8-5-12-9-13(18(19)20)6-7-14(12)17-15/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyJEVQCHZJFPRHPM-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.99
Rot. Bonds5

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

N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine (PubChem CID 61463580) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
PubChem CID61463580
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
SMILESCCC(C)C(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H19N3O2/c1-4-10(2)11(3)16-15-8-5-12-9-13(18(19)20)6-7-14(12)17-15/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyJEVQCHZJFPRHPM-UHFFFAOYSA-N
XLogP3.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.99
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-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
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-bromo-N-(3-methylpentan-2-yl)-4-nitroaniline
CID 43742183
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine (CID 61463580) is N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine is CCC(C)C(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine?
The InChIKey is JEVQCHZJFPRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-10(2)11(3)16-15-8-5-12-9-13(18(19)20)6-7-14(12)17-15/h5-11H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine?
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 61463580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).