[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine

C14H16N4O3 — CID 114399511

IUPAC[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1
InChIInChI=1S/C14H16N4O3/c15-8-10-9-17(6-7-21-10)12-3-4-13(18(19)20)14-11(12)2-1-5-16-14/h1-5,10H,6-9,15H2
InChIKeyAZWLJUDNFOXSRC-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.31
Rot. Bonds3

About [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine

[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine (PubChem CID 114399511) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine
PubChem CID114399511
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1
InChIInChI=1S/C14H16N4O3/c15-8-10-9-17(6-7-21-10)12-3-4-13(18(19)20)14-11(12)2-1-5-16-14/h1-5,10H,6-9,15H2
InChIKeyAZWLJUDNFOXSRC-UHFFFAOYSA-N
XLogP1.31
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.31
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

[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426
5-(3-methylpiperazin-1-yl)-8-nitroquinoline
CID 62479803
2-(2-chlorophenyl)-4-(5-nitroquinolin-8-yl)morpholine
CID 133289830
3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol
CID 103357735
[4-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)morpholin-2-yl]methanamine
CID 114399381
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
[4-[2-(difluoromethyl)-4-nitrophenyl]morpholin-2-yl]methanamine
CID 114399445
4-[(3R)-3-methylpiperazin-1-yl]-8-nitroquinoline
CID 104976042
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-8-nitroquinoline
CID 43599189
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
5-nitro-8-piperidin-1-ylquinoline
CID 3124100

Frequently Asked Questions

What is the IUPAC name of [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine (CID 114399511) is [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine is NCC1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1.
What is the InChIKey of [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine?
The InChIKey is AZWLJUDNFOXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-8-10-9-17(6-7-21-10)12-3-4-13(18(19)20)14-11(12)2-1-5-16-14/h1-5,10H,6-9,15H2.
What are the key properties of [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine?
[4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine has a molecular weight of 288.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114399511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).