N-(3-methoxypropyl)-8-nitroquinolin-5-amine

C13H15N3O3 — CID 43386307

IUPACN-(3-methoxypropyl)-8-nitroquinolin-5-amine
SMILESCOCCCNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C13H15N3O3/c1-19-9-3-8-14-11-5-6-12(16(17)18)13-10(11)4-2-7-15-13/h2,4-7,14H,3,8-9H2,1H3
InChIKeyGYPCMIYFVMDWLI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.59
Rot. Bonds6

About N-(3-methoxypropyl)-8-nitroquinolin-5-amine

N-(3-methoxypropyl)-8-nitroquinolin-5-amine (PubChem CID 43386307) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-8-nitroquinolin-5-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-8-nitroquinolin-5-amine
PubChem CID43386307
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3-methoxypropyl)-8-nitroquinolin-5-amine
SMILESCOCCCNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C13H15N3O3/c1-19-9-3-8-14-11-5-6-12(16(17)18)13-10(11)4-2-7-15-13/h2,4-7,14H,3,8-9H2,1H3
InChIKeyGYPCMIYFVMDWLI-UHFFFAOYSA-N
XLogP2.59
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
N-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
CID 104594236
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-8-nitroquinolin-5-amine?
The IUPAC name of N-(3-methoxypropyl)-8-nitroquinolin-5-amine (CID 43386307) is N-(3-methoxypropyl)-8-nitroquinolin-5-amine.
What is the SMILES notation for N-(3-methoxypropyl)-8-nitroquinolin-5-amine?
The canonical SMILES for N-(3-methoxypropyl)-8-nitroquinolin-5-amine is COCCCNc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of N-(3-methoxypropyl)-8-nitroquinolin-5-amine?
The InChIKey is GYPCMIYFVMDWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-9-3-8-14-11-5-6-12(16(17)18)13-10(11)4-2-7-15-13/h2,4-7,14H,3,8-9H2,1H3.
What are the key properties of N-(3-methoxypropyl)-8-nitroquinolin-5-amine?
N-(3-methoxypropyl)-8-nitroquinolin-5-amine has a molecular weight of 261.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-8-nitroquinolin-5-amine is sourced from PubChem (CID 43386307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).