6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile

C12H7N3O2 — CID 110272546

IUPAC6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile
SMILESCOc1ccc2[nH]c(C#N)c(C#N)c(=O)c2c1
InChIInChI=1S/C12H7N3O2/c1-17-7-2-3-10-8(4-7)12(16)9(5-13)11(6-14)15-10/h2-4H,1H3,(H,15,16)
InChIKeySQCTZMUWFQDLSA-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.28
Rot. Bonds1

About 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile

6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile (PubChem CID 110272546) has the molecular formula C12H7N3O2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile
PubChem CID110272546
Molecular FormulaC12H7N3O2
Molecular Weight225.21 g/mol
Exact Mass225.05
IUPAC Name6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile
SMILESCOc1ccc2[nH]c(C#N)c(C#N)c(=O)c2c1
InChIInChI=1S/C12H7N3O2/c1-17-7-2-3-10-8(4-7)12(16)9(5-13)11(6-14)15-10/h2-4H,1H3,(H,15,16)
InChIKeySQCTZMUWFQDLSA-UHFFFAOYSA-N
XLogP1.28
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[chloro(difluoro)methyl]-6-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 949523
3-formyl-5-methoxy-1H-indole-2-carbonitrile
CID 71385404
2-ethyl-5-methoxy-1H-indole-3-carbonitrile
CID 84669470
6-butoxy-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 82245502
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
8-methoxy-1,2,3,5-tetrahydrocyclopenta[b]acridin-10-one
CID 15309879
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
CID 46708037

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile?
The IUPAC name of 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile (CID 110272546) is 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile.
What is the SMILES notation for 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile?
The canonical SMILES for 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile is COc1ccc2[nH]c(C#N)c(C#N)c(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile?
The InChIKey is SQCTZMUWFQDLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2/c1-17-7-2-3-10-8(4-7)12(16)9(5-13)11(6-14)15-10/h2-4H,1H3,(H,15,16).
What are the key properties of 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile?
6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile has a molecular weight of 225.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile is sourced from PubChem (CID 110272546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).