N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine

C15H17N3O4 — CID 133459148

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
SMILESCC1(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)OCCO1
InChIInChI=1S/C15H17N3O4/c1-15(21-8-9-22-15)6-7-16-14-5-2-11-10-12(18(19)20)3-4-13(11)17-14/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyUQKPUDMWALEEQH-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine (PubChem CID 133459148) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
PubChem CID133459148
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
SMILESCC1(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)OCCO1
InChIInChI=1S/C15H17N3O4/c1-15(21-8-9-22-15)6-7-16-14-5-2-11-10-12(18(19)20)3-4-13(11)17-14/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyUQKPUDMWALEEQH-UHFFFAOYSA-N
XLogP2.71
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-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

2-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-6-nitroquinoline-4-carbonitrile
CID 133459187
6-nitro-N-propylquinolin-2-amine
CID 43450859
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
2-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-nitroaniline
CID 133459089
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133459088

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine (CID 133459148) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine is CC1(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine?
The InChIKey is UQKPUDMWALEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(21-8-9-22-15)6-7-16-14-5-2-11-10-12(18(19)20)3-4-13(11)17-14/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine has a molecular weight of 303.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine is sourced from PubChem (CID 133459148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).