7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

C14H17N3O4 — CID 62348479

IUPAC7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC3CCCN3)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C14H17N3O4/c18-14-4-3-9-6-13(21-8-10-2-1-5-15-10)12(17(19)20)7-11(9)16-14/h6-7,10,15H,1-5,8H2,(H,16,18)
InChIKeyGUQBOZATQSLERW-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.61
Rot. Bonds4

About 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62348479) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID62348479
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC3CCCN3)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C14H17N3O4/c18-14-4-3-9-6-13(21-8-10-2-1-5-15-10)12(17(19)20)7-11(9)16-14/h6-7,10,15H,1-5,8H2,(H,16,18)
InChIKeyGUQBOZATQSLERW-UHFFFAOYSA-N
XLogP1.61
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
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

2-[(5-fluoro-4-iodo-2-nitrophenoxy)methyl]pyrrolidine
CID 66099909
7-nitro-6-[2-(propan-2-ylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62349118
(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
2-methyl-6-nitro-5-(pyrrolidin-2-ylmethoxy)-1,3-benzothiazole
CID 62347924
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
2-[(2-chloro-5-nitrophenoxy)methyl]pyrrolidine
CID 54140908
2-methyl-6-nitro-5-(piperidin-2-ylmethoxy)-1,3-benzothiazole
CID 62349023

Frequently Asked Questions

What is the IUPAC name of 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 62348479) is 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC3CCCN3)c([N+](=O)[O-])cc2N1.
What is the InChIKey of 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GUQBOZATQSLERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-14-4-3-9-6-13(21-8-10-2-1-5-15-10)12(17(19)20)7-11(9)16-14/h6-7,10,15H,1-5,8H2,(H,16,18).
What are the key properties of 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 291.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-6-(pyrrolidin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62348479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).