N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine

C16H19N3O3 — CID 133271741

IUPACN-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
SMILESCN(CC1CCCCO1)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H19N3O3/c1-18(11-14-4-2-3-9-22-14)16-8-5-12-10-13(19(20)21)6-7-15(12)17-16/h5-8,10,14H,2-4,9,11H2,1H3
InChIKeyOQRPJTQNENRUHZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine

N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine (PubChem CID 133271741) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
PubChem CID133271741
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
SMILESCN(CC1CCCCO1)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H19N3O3/c1-18(11-14-4-2-3-9-22-14)16-8-5-12-10-13(19(20)21)6-7-15(12)17-16/h5-8,10,14H,2-4,9,11H2,1H3
InChIKeyOQRPJTQNENRUHZ-UHFFFAOYSA-N
XLogP3.15
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
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-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 133271782
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
CID 133443913
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
CID 63301397
N-methyl-4-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 671903
N-ethyl-4-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133274078
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825215
6-nitro-N-[2-(oxan-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 107094551
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine?
The IUPAC name of N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine (CID 133271741) is N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine.
What is the SMILES notation for N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine?
The canonical SMILES for N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine is CN(CC1CCCCO1)c1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine?
The InChIKey is OQRPJTQNENRUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(11-14-4-2-3-9-22-14)16-8-5-12-10-13(19(20)21)6-7-15(12)17-16/h5-8,10,14H,2-4,9,11H2,1H3.
What are the key properties of N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine?
N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 133271741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).