N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine

C19H17N5O2 — CID 133436471

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
SMILESCc1cc(NCCc2cn3ccccc3n2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H17N5O2/c1-13-11-16(15-5-4-6-17(24(25)26)19(15)21-13)20-9-8-14-12-23-10-3-2-7-18(23)22-14/h2-7,10-12H,8-9H2,1H3,(H,20,21)
InChIKeyOCBXWQSPUOBQMQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.75
Rot. Bonds5

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine (PubChem CID 133436471) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
PubChem CID133436471
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
SMILESCc1cc(NCCc2cn3ccccc3n2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H17N5O2/c1-13-11-16(15-5-4-6-17(24(25)26)19(15)21-13)20-9-8-14-12-23-10-3-2-7-18(23)22-14/h2-7,10-12H,8-9H2,1H3,(H,20,21)
InChIKeyOCBXWQSPUOBQMQ-UHFFFAOYSA-N
XLogP3.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.75
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'}

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4,6-dimethylpyrimidin-2-amine
CID 31537504
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184
2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-8-nitroquinolin-4-amine
CID 133437241
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitroaniline
CID 31257261
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitroaniline
CID 31257263
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
N-(4-methoxy-2,2-dimethylbutyl)-2-methyl-8-nitroquinolin-4-amine
CID 133459651
N-[3-(benzenesulfonyl)propyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436942
N-benzyl-3-[(2-methyl-8-nitroquinolin-4-yl)amino]propanamide
CID 133437017
2-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-8-nitroquinolin-4-amine
CID 133436733

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine (CID 133436471) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine is Cc1cc(NCCc2cn3ccccc3n2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine?
The InChIKey is OCBXWQSPUOBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13-11-16(15-5-4-6-17(24(25)26)19(15)21-13)20-9-8-14-12-23-10-3-2-7-18(23)22-14/h2-7,10-12H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine has a molecular weight of 347.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine is sourced from PubChem (CID 133436471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).