4,8-dichloro-7-methoxyquinoline-3-carbonitrile

C11H6Cl2N2O — CID 12559432

IUPAC4,8-dichloro-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2c(Cl)c(C#N)cnc2c1Cl
InChIInChI=1S/C11H6Cl2N2O/c1-16-8-3-2-7-9(12)6(4-14)5-15-11(7)10(8)13/h2-3,5H,1H3
InChIKeySJDBDZVEAUDGBL-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.42
Rot. Bonds1

About 4,8-dichloro-7-methoxyquinoline-3-carbonitrile

4,8-dichloro-7-methoxyquinoline-3-carbonitrile (PubChem CID 12559432) has the molecular formula C11H6Cl2N2O and a molecular weight of 253.09 g/mol. Its IUPAC name is 4,8-dichloro-7-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4,8-dichloro-7-methoxyquinoline-3-carbonitrile
PubChem CID12559432
Molecular FormulaC11H6Cl2N2O
Molecular Weight253.09 g/mol
Exact Mass251.99
IUPAC Name4,8-dichloro-7-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2c(Cl)c(C#N)cnc2c1Cl
InChIInChI=1S/C11H6Cl2N2O/c1-16-8-3-2-7-9(12)6(4-14)5-15-11(7)10(8)13/h2-3,5H,1H3
InChIKeySJDBDZVEAUDGBL-UHFFFAOYSA-N
XLogP3.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001
4,8-dichloro-7-methoxy-3-methylquinoline
CID 171373308
5-chloro-8-methoxy-4-(methylamino)quinoline-3-carbonitrile
CID 62188675
3-chloro-4-methoxy-2-methylbenzonitrile
CID 163388900
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
4-chloro-7-(3-chloropropyl)-6-methoxyquinoline-3-carbonitrile
CID 141337550
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
CID 174823492
4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
CID 102941564
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-7-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4,8-dichloro-7-methoxyquinoline-3-carbonitrile (CID 12559432) is 4,8-dichloro-7-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4,8-dichloro-7-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4,8-dichloro-7-methoxyquinoline-3-carbonitrile is COc1ccc2c(Cl)c(C#N)cnc2c1Cl.
What is the InChIKey of 4,8-dichloro-7-methoxyquinoline-3-carbonitrile?
The InChIKey is SJDBDZVEAUDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O/c1-16-8-3-2-7-9(12)6(4-14)5-15-11(7)10(8)13/h2-3,5H,1H3.
What are the key properties of 4,8-dichloro-7-methoxyquinoline-3-carbonitrile?
4,8-dichloro-7-methoxyquinoline-3-carbonitrile has a molecular weight of 253.09 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-7-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 12559432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).