N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine

C15H15N5O2 — CID 133405682

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine
SMILESCc1c(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1C
InChIInChI=1S/C15H15N5O2/c1-10-12(9-17-19(10)2)8-16-15-6-3-11-7-13(20(21)22)4-5-14(11)18-15/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyQJSOSZOZIRIGNR-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.80
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine (PubChem CID 133405682) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine
PubChem CID133405682
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine
SMILESCc1c(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1C
InChIInChI=1S/C15H15N5O2/c1-10-12(9-17-19(10)2)8-16-15-6-3-11-7-13(20(21)22)4-5-14(11)18-15/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyQJSOSZOZIRIGNR-UHFFFAOYSA-N
XLogP2.80
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.80
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-[(1,5-dimethylpyrazol-4-yl)methyl]-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-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 79579068
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitrobenzoic acid
CID 106034518
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
CID 107143500
6-nitro-N-propylquinolin-2-amine
CID 43450859
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-nitroquinolin-2-amine
CID 103703230
6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
CID 104577433
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-nitrobenzamide
CID 831767
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-[(3-bromothiophen-2-yl)methyl]-6-nitroquinolin-2-amine
CID 78983744

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine (CID 133405682) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine is Cc1c(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine?
The InChIKey is QJSOSZOZIRIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-12(9-17-19(10)2)8-16-15-6-3-11-7-13(20(21)22)4-5-14(11)18-15/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine has a molecular weight of 297.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine is sourced from PubChem (CID 133405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).