N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine

C14H16N4O2 — CID 63301397

IUPACN-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
SMILESCN(c1ccc2cc([N+](=O)[O-])ccc2n1)C1CCNC1
InChIInChI=1S/C14H16N4O2/c1-17(12-6-7-15-9-12)14-5-2-10-8-11(18(19)20)3-4-13(10)16-14/h2-5,8,12,15H,6-7,9H2,1H3
InChIKeyHWMFQNIQKTURGQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine

N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine (PubChem CID 63301397) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
PubChem CID63301397
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
SMILESCN(c1ccc2cc([N+](=O)[O-])ccc2n1)C1CCNC1
InChIInChI=1S/C14H16N4O2/c1-17(12-6-7-15-9-12)14-5-2-10-8-11(18(19)20)3-4-13(10)16-14/h2-5,8,12,15H,6-7,9H2,1H3
InChIKeyHWMFQNIQKTURGQ-UHFFFAOYSA-N
XLogP1.94
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641222
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
N-methyl-5-nitro-N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 71641407
N-methyl-5-nitro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 71641409
N-methyl-N-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746
N-methyl-6-nitro-N-piperidin-3-yl-1,3-benzoxazol-2-amine
CID 79882150
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
N-methyl-5-nitro-N-[(3R)-piperidin-3-yl]-1,3-benzoxazol-2-amine;hydrochloride
CID 71640902
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 63883694
N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271741
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
2-(2-bromo-4-nitrophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551744

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine?
The IUPAC name of N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine (CID 63301397) is N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine.
What is the SMILES notation for N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine?
The canonical SMILES for N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine is CN(c1ccc2cc([N+](=O)[O-])ccc2n1)C1CCNC1.
What is the InChIKey of N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine?
The InChIKey is HWMFQNIQKTURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17(12-6-7-15-9-12)14-5-2-10-8-11(18(19)20)3-4-13(10)16-14/h2-5,8,12,15H,6-7,9H2,1H3.
What are the key properties of N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine?
N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine is sourced from PubChem (CID 63301397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).