7-methoxy-6-nitroquinoline-3-carbonitrile

C11H7N3O3 — CID 57156619

IUPAC7-methoxy-6-nitroquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H7N3O3/c1-17-11-4-9-8(3-10(11)14(15)16)2-7(5-12)6-13-9/h2-4,6H,1H3
InChIKeyKCZJVUHRYHVFPD-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.02
Rot. Bonds2

About 7-methoxy-6-nitroquinoline-3-carbonitrile

7-methoxy-6-nitroquinoline-3-carbonitrile (PubChem CID 57156619) has the molecular formula C11H7N3O3 and a molecular weight of 229.19 g/mol. Its IUPAC name is 7-methoxy-6-nitroquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-6-nitroquinoline-3-carbonitrile
PubChem CID57156619
Molecular FormulaC11H7N3O3
Molecular Weight229.19 g/mol
Exact Mass229.05
IUPAC Name7-methoxy-6-nitroquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H7N3O3/c1-17-11-4-9-8(3-10(11)14(15)16)2-7(5-12)6-13-9/h2-4,6H,1H3
InChIKeyKCZJVUHRYHVFPD-UHFFFAOYSA-N
XLogP2.02
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.02
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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Related Compounds

7-methoxybenzo[g]quinoline-3-carbonitrile
CID 70112486
2-(cyanomethyl)-5-methoxy-4-nitrobenzonitrile
CID 171031416
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
4-(4-chloro-2-fluoroanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile
CID 22466695
2-butoxy-5-methoxy-4-nitrobenzonitrile
CID 151778779
2-acetyl-4-methoxy-5-nitrobenzonitrile
CID 131302585
(7-methoxy-6-nitroquinazolin-4-yl)methanamine
CID 66609386
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
2-(2,5-dimethoxy-4-nitrophenyl)acetonitrile
CID 91620311
2-cyano-5-methoxy-4-nitrobenzoyl chloride
CID 171027143
4-(chloromethyl)-3-methoxy-5-nitrobenzonitrile
CID 171020302
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-nitroquinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-6-nitroquinoline-3-carbonitrile (CID 57156619) is 7-methoxy-6-nitroquinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-6-nitroquinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-6-nitroquinoline-3-carbonitrile is COc1cc2ncc(C#N)cc2cc1[N+](=O)[O-].
What is the InChIKey of 7-methoxy-6-nitroquinoline-3-carbonitrile?
The InChIKey is KCZJVUHRYHVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c1-17-11-4-9-8(3-10(11)14(15)16)2-7(5-12)6-13-9/h2-4,6H,1H3.
What are the key properties of 7-methoxy-6-nitroquinoline-3-carbonitrile?
7-methoxy-6-nitroquinoline-3-carbonitrile has a molecular weight of 229.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-nitroquinoline-3-carbonitrile is sourced from PubChem (CID 57156619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).