6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile

C11H7ClN2O3 — CID 134987165

IUPAC6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1cc2[nH]c(=O)c(C#N)c(O)c2cc1Cl
InChIInChI=1S/C11H7ClN2O3/c1-17-9-3-8-5(2-7(9)12)10(15)6(4-13)11(16)14-8/h2-3H,1H3,(H2,14,15,16)
InChIKeyCRUZYCHPNVWCAA-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.77
Rot. Bonds1

About 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile

6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 134987165) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID134987165
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1cc2[nH]c(=O)c(C#N)c(O)c2cc1Cl
InChIInChI=1S/C11H7ClN2O3/c1-17-9-3-8-5(2-7(9)12)10(15)6(4-13)11(16)14-8/h2-3H,1H3,(H2,14,15,16)
InChIKeyCRUZYCHPNVWCAA-UHFFFAOYSA-N
XLogP1.77
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
CID 134910353
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
4-amino-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonitrile;hydrate
CID 110169121
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
7-chloro-4-hydroxy-3-[3-(2-methoxyphenyl)phenyl]-2-oxo-1H-quinoline-6-carbonitrile
CID 54706679
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-chloro-6-methoxyphenyl] acetate
CID 169394543
2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
CID 156876776
2-chloro-1-[4-(2-chloro-4-methoxyphenyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 54727519
2,5,6-trichloro-1H-indole-3-carbonitrile
CID 82269544
7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642932
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 107622842
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile (CID 134987165) is 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile is COc1cc2[nH]c(=O)c(C#N)c(O)c2cc1Cl.
What is the InChIKey of 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is CRUZYCHPNVWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c1-17-9-3-8-5(2-7(9)12)10(15)6(4-13)11(16)14-8/h2-3H,1H3,(H2,14,15,16).
What are the key properties of 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 250.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 134987165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).