2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid

C12H14N2O5 — CID 167322933

IUPAC2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid
SMILESCOc1cc2c(cc1[N+](=O)[O-])CCCN2CC(=O)O
InChIInChI=1S/C12H14N2O5/c1-19-11-6-9-8(5-10(11)14(17)18)3-2-4-13(9)7-12(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKeyNOFJZYIHWCLSPI-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.44
Rot. Bonds4

About 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid

2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid (PubChem CID 167322933) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid
PubChem CID167322933
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid
SMILESCOc1cc2c(cc1[N+](=O)[O-])CCCN2CC(=O)O
InChIInChI=1S/C12H14N2O5/c1-19-11-6-9-8(5-10(11)14(17)18)3-2-4-13(9)7-12(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKeyNOFJZYIHWCLSPI-UHFFFAOYSA-N
XLogP1.44
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
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-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid (CID 167322933) is 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid is COc1cc2c(cc1[N+](=O)[O-])CCCN2CC(=O)O.
What is the InChIKey of 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The InChIKey is NOFJZYIHWCLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-19-11-6-9-8(5-10(11)14(17)18)3-2-4-13(9)7-12(15)16/h5-6H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid has a molecular weight of 266.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid is sourced from PubChem (CID 167322933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).