2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine

C16H19N3O3 — CID 133436658

IUPAC2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
SMILESCc1cc(N2CCOC(C)(C)C2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(18-7-8-22-16(2,3)10-18)12-5-4-6-13(19(20)21)15(12)17-11/h4-6,9H,7-8,10H2,1-3H3
InChIKeyAGYKJVUPLXJBET-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.07
Rot. Bonds2

About 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine

2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine (PubChem CID 133436658) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
PubChem CID133436658
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
SMILESCc1cc(N2CCOC(C)(C)C2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(18-7-8-22-16(2,3)10-18)12-5-4-6-13(19(20)21)15(12)17-11/h4-6,9H,7-8,10H2,1-3H3
InChIKeyAGYKJVUPLXJBET-UHFFFAOYSA-N
XLogP3.07
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
The IUPAC name of 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine (CID 133436658) is 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine.
What is the SMILES notation for 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
The canonical SMILES for 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine is Cc1cc(N2CCOC(C)(C)C2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
The InChIKey is AGYKJVUPLXJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-14(18-7-8-22-16(2,3)10-18)12-5-4-6-13(19(20)21)15(12)17-11/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine has a molecular weight of 301.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine is sourced from PubChem (CID 133436658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).