N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine

C15H17N3O3 — CID 103989717

IUPACN-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine
SMILESCOC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC1
InChIInChI=1S/C15H17N3O3/c1-21-15(7-3-8-15)10-17-12-5-6-13(18(19)20)11-4-2-9-16-14(11)12/h2,4-6,9,17H,3,7-8,10H2,1H3
InChIKeyJGRZADAIXVRZNV-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine

N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine (PubChem CID 103989717) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine
PubChem CID103989717
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine
SMILESCOC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC1
InChIInChI=1S/C15H17N3O3/c1-21-15(7-3-8-15)10-17-12-5-6-13(18(19)20)11-4-2-9-16-14(11)12/h2,4-6,9,17H,3,7-8,10H2,1H3
InChIKeyJGRZADAIXVRZNV-UHFFFAOYSA-N
XLogP3.12
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-nitroaniline
CID 107302364
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
4-[(1-methoxycyclobutyl)methylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 133459971
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine (CID 103989717) is N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine is COC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine?
The InChIKey is JGRZADAIXVRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-15(7-3-8-15)10-17-12-5-6-13(18(19)20)11-4-2-9-16-14(11)12/h2,4-6,9,17H,3,7-8,10H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine?
N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine has a molecular weight of 287.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-5-nitroquinolin-8-amine is sourced from PubChem (CID 103989717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).