4-chloro-6-methoxyquinoline-3-carbonitrile

C11H7ClN2O — CID 87839135

IUPAC4-chloro-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2ncc([14C]#N)c(Cl)c2c1
InChIInChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3/i5+2
InChIKeyVIKNILFXAQPQEF-RHRFEJLCSA-N
MW220.64 g/mol
LogP2.77
Rot. Bonds1

About 4-chloro-6-methoxyquinoline-3-carbonitrile

4-chloro-6-methoxyquinoline-3-carbonitrile (PubChem CID 87839135) has the molecular formula C11H7ClN2O and a molecular weight of 220.64 g/mol. Its IUPAC name is 4-chloro-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-methoxyquinoline-3-carbonitrile
PubChem CID87839135
Molecular FormulaC11H7ClN2O
Molecular Weight220.64 g/mol
Exact Mass220.03
IUPAC Name4-chloro-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2ncc([14C]#N)c(Cl)c2c1
InChIInChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3/i5+2
InChIKeyVIKNILFXAQPQEF-RHRFEJLCSA-N
XLogP2.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.64
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
8-methoxy-2-methylthieno[2,3-c]quinoline
CID 141424177
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
4-chloro-6-methoxycinnoline-3-carbonitrile
CID 83889129
6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
CID 176655507
4-amino-6-methoxyquinolin-3-ol
CID 84662489
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
4-[3-(4-chlorophenoxy)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 166329872
3,4-dichloro-8-methoxythieno[3,2-c]quinoline
CID 91756451

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-6-methoxyquinoline-3-carbonitrile (CID 87839135) is 4-chloro-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-6-methoxyquinoline-3-carbonitrile is COc1ccc2ncc([14C]#N)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxyquinoline-3-carbonitrile?
The InChIKey is VIKNILFXAQPQEF-RHRFEJLCSA-N. The full InChI is InChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3/i5+2.
What are the key properties of 4-chloro-6-methoxyquinoline-3-carbonitrile?
4-chloro-6-methoxyquinoline-3-carbonitrile has a molecular weight of 220.64 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 87839135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).