8-chloro-4-(dimethylamino)quinoline-3-carbonitrile

C12H10ClN3 — CID 82242893

IUPAC8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
SMILESCN(C)c1c(C#N)cnc2c(Cl)cccc12
InChIInChI=1S/C12H10ClN3/c1-16(2)12-8(6-14)7-15-11-9(12)4-3-5-10(11)13/h3-5,7H,1-2H3
InChIKeyPHXPZHAKTRBISM-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.83
Rot. Bonds1

About 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile

8-chloro-4-(dimethylamino)quinoline-3-carbonitrile (PubChem CID 82242893) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
PubChem CID82242893
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
SMILESCN(C)c1c(C#N)cnc2c(Cl)cccc12
InChIInChI=1S/C12H10ClN3/c1-16(2)12-8(6-14)7-15-11-9(12)4-3-5-10(11)13/h3-5,7H,1-2H3
InChIKeyPHXPZHAKTRBISM-UHFFFAOYSA-N
XLogP2.83
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile (CID 82242893) is 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile is CN(C)c1c(C#N)cnc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile?
The InChIKey is PHXPZHAKTRBISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-16(2)12-8(6-14)7-15-11-9(12)4-3-5-10(11)13/h3-5,7H,1-2H3.
What are the key properties of 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile?
8-chloro-4-(dimethylamino)quinoline-3-carbonitrile has a molecular weight of 231.69 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(dimethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 82242893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).