2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine

C17H19N5O2 — CID 133436733

IUPAC2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine
SMILESCc1cc(NCC(C)Cn2cccn2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C17H19N5O2/c1-12(11-21-8-4-7-19-21)10-18-15-9-13(2)20-17-14(15)5-3-6-16(17)22(23)24/h3-9,12H,10-11H2,1-2H3,(H,18,20)
InChIKeyZAMDQPSCDZIQLV-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.40
Rot. Bonds6

About 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine

2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine (PubChem CID 133436733) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine
PubChem CID133436733
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine
SMILESCc1cc(NCC(C)Cn2cccn2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C17H19N5O2/c1-12(11-21-8-4-7-19-21)10-18-15-9-13(2)20-17-14(15)5-3-6-16(17)22(23)24/h3-9,12H,10-11H2,1-2H3,(H,18,20)
InChIKeyZAMDQPSCDZIQLV-UHFFFAOYSA-N
XLogP3.40
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.40
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 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-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-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-8-nitroquinolin-4-amine
CID 133437241
N-[3-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 133436851
1-(2,6-difluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133437468
2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine
CID 133436604
1-(4-fluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133436636
1-(2-fluorophenyl)-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133436618
N-(4-methoxy-2,2-dimethylbutyl)-2-methyl-8-nitroquinolin-4-amine
CID 133459651
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
CID 133436471
N-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436706
1-[4-(difluoromethoxy)phenyl]-2-[(2-methyl-8-nitroquinolin-4-yl)amino]ethanol
CID 133437406
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 51726770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine (CID 133436733) is 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine is Cc1cc(NCC(C)Cn2cccn2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine?
The InChIKey is ZAMDQPSCDZIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(11-21-8-4-7-19-21)10-18-15-9-13(2)20-17-14(15)5-3-6-16(17)22(23)24/h3-9,12H,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine?
2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine has a molecular weight of 325.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine is sourced from PubChem (CID 133436733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).