N-(1-methoxypropyl)-3-nitroquinolin-4-amine

C13H15N3O3 — CID 67837777

IUPACN-(1-methoxypropyl)-3-nitroquinolin-4-amine
SMILESCCC(Nc1c([N+](=O)[O-])cnc2ccccc12)OC
InChIInChI=1S/C13H15N3O3/c1-3-12(19-2)15-13-9-6-4-5-7-10(9)14-8-11(13)16(17)18/h4-8,12H,3H2,1-2H3,(H,14,15)
InChIKeyIQHPOKPWTRCCAO-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.94
Rot. Bonds5

About N-(1-methoxypropyl)-3-nitroquinolin-4-amine

N-(1-methoxypropyl)-3-nitroquinolin-4-amine (PubChem CID 67837777) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1-methoxypropyl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropyl)-3-nitroquinolin-4-amine
PubChem CID67837777
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(1-methoxypropyl)-3-nitroquinolin-4-amine
SMILESCCC(Nc1c([N+](=O)[O-])cnc2ccccc12)OC
InChIInChI=1S/C13H15N3O3/c1-3-12(19-2)15-13-9-6-4-5-7-10(9)14-8-11(13)16(17)18/h4-8,12H,3H2,1-2H3,(H,14,15)
InChIKeyIQHPOKPWTRCCAO-UHFFFAOYSA-N
XLogP2.94
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
N-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625
4-[(2R)-2-[(3-nitroquinolin-4-yl)amino]hexyl]phenol
CID 155389083
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropyl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(1-methoxypropyl)-3-nitroquinolin-4-amine (CID 67837777) is N-(1-methoxypropyl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(1-methoxypropyl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(1-methoxypropyl)-3-nitroquinolin-4-amine is CCC(Nc1c([N+](=O)[O-])cnc2ccccc12)OC.
What is the InChIKey of N-(1-methoxypropyl)-3-nitroquinolin-4-amine?
The InChIKey is IQHPOKPWTRCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-12(19-2)15-13-9-6-4-5-7-10(9)14-8-11(13)16(17)18/h4-8,12H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(1-methoxypropyl)-3-nitroquinolin-4-amine?
N-(1-methoxypropyl)-3-nitroquinolin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropyl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 67837777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).