1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline

C12H16N2O3 — CID 69040269

IUPAC1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
SMILESCOCCN1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C12H16N2O3/c1-17-8-7-13-6-2-3-10-4-5-11(14(15)16)9-12(10)13/h4-5,9H,2-3,6-8H2,1H3
InChIKeyLVPJOMHDKJFWPO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline

1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline (PubChem CID 69040269) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
PubChem CID69040269
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
SMILESCOCCN1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C12H16N2O3/c1-17-8-7-13-6-2-3-10-4-5-11(14(15)16)9-12(10)13/h4-5,9H,2-3,6-8H2,1H3
InChIKeyLVPJOMHDKJFWPO-UHFFFAOYSA-N
XLogP1.99
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
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'}

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Related Compounds

N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
7-isocyano-1-(2-methoxyethyl)-3,4-dihydro-2H-quinoline
CID 160853533
N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]formamide
CID 168651977
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
7-(2-methylprop-1-enyl)-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-2H-quinoline
CID 163361042
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one
CID 99777481
4-(8-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxobutanoyl chloride
CID 87841343
methyl (2S)-2-[(2,6-dichloro-4-phenylbenzoyl)amino]-7-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-5-oxoheptanoate
CID 159411582
N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110291960
2-(7-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl methanesulfinate
CID 118889025
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-nitro-2,3-dihydroindole
CID 86789587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline (CID 69040269) is 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline is COCCN1CCCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline?
The InChIKey is LVPJOMHDKJFWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-8-7-13-6-2-3-10-4-5-11(14(15)16)9-12(10)13/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline?
1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline has a molecular weight of 236.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 69040269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).