[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H18N2O4 — CID 97326598

IUPAC[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESC[C@@H]1CC[C@@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1
InChIInChI=1S/C15H18N2O4/c1-10-7-8-14(21-10)15(18)16-9-3-4-11-12(16)5-2-6-13(11)17(19)20/h2,5-6,10,14H,3-4,7-9H2,1H3/t10-,14+/m1/s1
InChIKeyVVVNLJKMDDQADC-YGRLFVJLSA-N
MW290.32 g/mol
LogP2.44
Rot. Bonds2

About [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 97326598) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID97326598
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESC[C@@H]1CC[C@@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1
InChIInChI=1S/C15H18N2O4/c1-10-7-8-14(21-10)15(18)16-9-3-4-11-12(16)5-2-6-13(11)17(19)20/h2,5-6,10,14H,3-4,7-9H2,1H3/t10-,14+/m1/s1
InChIKeyVVVNLJKMDDQADC-YGRLFVJLSA-N
XLogP2.44
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(4-amino-2,3-dihydroindol-1-yl)-(5-methyloxolan-2-yl)methanone
CID 81324284
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114337455
morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone
CID 119788511
(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84589440
[3-methyl-5-[(2S,5S)-5-methyloxolane-2-carbonyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]-[(2S,5S)-5-methyloxolan-2-yl]methanone
CID 99715353
(2-methyl-1,3-benzoxazol-4-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 122144201
1-[(2S)-1-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]pyrrolidin-2-one
CID 99820787
(4-nitro-2,3-dihydroindol-1-yl) butanoate
CID 174469221
(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119326470
3-amino-2-methyl-1-(4-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 120500994
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 71908904

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 97326598) is [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone is C[C@@H]1CC[C@@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1.
What is the InChIKey of [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VVVNLJKMDDQADC-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-7-8-14(21-10)15(18)16-9-3-4-11-12(16)5-2-6-13(11)17(19)20/h2,5-6,10,14H,3-4,7-9H2,1H3/t10-,14+/m1/s1.
What are the key properties of [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone?
[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 97326598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).