2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine

C19H16N6O2 — CID 133436604

IUPAC2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine
SMILESCc1cc(NCc2ccnc(-n3cccn3)c2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H16N6O2/c1-13-10-16(15-4-2-5-17(25(26)27)19(15)23-13)21-12-14-6-8-20-18(11-14)24-9-3-7-22-24/h2-11H,12H2,1H3,(H,21,23)
InChIKeyXXLJLMVSDDGURS-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.64
Rot. Bonds5

About 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine

2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine (PubChem CID 133436604) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine
PubChem CID133436604
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine
SMILESCc1cc(NCc2ccnc(-n3cccn3)c2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H16N6O2/c1-13-10-16(15-4-2-5-17(25(26)27)19(15)23-13)21-12-14-6-8-20-18(11-14)24-9-3-7-22-24/h2-11H,12H2,1H3,(H,21,23)
InChIKeyXXLJLMVSDDGURS-UHFFFAOYSA-N
XLogP3.64
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436706
N-[3-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 133436851
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436778
4-methyl-3-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 34113168
2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine
CID 133436733
[4-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]urea
CID 133436481
2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
CID 133436329
1-[[3-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133436664
2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine
CID 133436556
N-benzyl-3-[(2-methyl-8-nitroquinolin-4-yl)amino]propanamide
CID 133437017
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine?
The IUPAC name of 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine (CID 133436604) is 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine is Cc1cc(NCc2ccnc(-n3cccn3)c2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine?
The InChIKey is XXLJLMVSDDGURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-13-10-16(15-4-2-5-17(25(26)27)19(15)23-13)21-12-14-6-8-20-18(11-14)24-9-3-7-22-24/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine?
2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine has a molecular weight of 360.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine is sourced from PubChem (CID 133436604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).