2-chloro-7-methoxyquinoline-3-carbonitrile

C11H7ClN2O — CID 778250

IUPAC2-chloro-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(Cl)nc2c1
InChIInChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3
InChIKeyUTLRIOWIEJHVQJ-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.77
Rot. Bonds1

About 2-chloro-7-methoxyquinoline-3-carbonitrile

2-chloro-7-methoxyquinoline-3-carbonitrile (PubChem CID 778250) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-chloro-7-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-7-methoxyquinoline-3-carbonitrile
PubChem CID778250
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name2-chloro-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(Cl)nc2c1
InChIInChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3
InChIKeyUTLRIOWIEJHVQJ-UHFFFAOYSA-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 ≤ 500218.64
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
2-Chloro-6-methoxy-4-methylquinoline
CID 224788
2-(4-Methoxyphenyl)quinoline
CID 1481967
2,4-Dichloro-6-methoxyquinoline
CID 948356
4-Chloro-7-methoxyquinoline
CID 10607829
4-[1-(4-Methoxyphenyl)ethenyl]quinoline-2-carbonitrile
CID 118443998
2-Chloro-7-methoxyquinoline-3-carbaldehyde oxime
CID 9624272
Quinoline, 2-methyl-4-(vinyloxy)-
CID 3054468
2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
2-Chloro-7-methoxyquinoline-3-methanol
CID 828415
4-Chloro-7-(propan-2-yloxy)quinoline
CID 78324000
6-Methoxyquinoline-2-carbonitrile
CID 230481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxyquinoline-3-carbonitrile?
The IUPAC name of 2-chloro-7-methoxyquinoline-3-carbonitrile (CID 778250) is 2-chloro-7-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-chloro-7-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-chloro-7-methoxyquinoline-3-carbonitrile is COc1ccc2cc(C#N)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxyquinoline-3-carbonitrile?
The InChIKey is UTLRIOWIEJHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3.
What are the key properties of 2-chloro-7-methoxyquinoline-3-carbonitrile?
2-chloro-7-methoxyquinoline-3-carbonitrile has a molecular weight of 218.64 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 2-chloro-7-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 778250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).