7-(aminomethyl)-4-chloroquinoline-2-carbonitrile

C11H8ClN3 — CID 143730981

IUPAC7-(aminomethyl)-4-chloroquinoline-2-carbonitrile
SMILESN#Cc1cc(Cl)c2ccc(CN)cc2n1
InChIInChI=1S/C11H8ClN3/c12-10-4-8(6-14)15-11-3-7(5-13)1-2-9(10)11/h1-4H,5,13H2
InChIKeyZTUPTPDNQJJETK-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.22
Rot. Bonds1

About 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile

7-(aminomethyl)-4-chloroquinoline-2-carbonitrile (PubChem CID 143730981) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile.

Molecular Properties

Compound Name7-(aminomethyl)-4-chloroquinoline-2-carbonitrile
PubChem CID143730981
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name7-(aminomethyl)-4-chloroquinoline-2-carbonitrile
SMILESN#Cc1cc(Cl)c2ccc(CN)cc2n1
InChIInChI=1S/C11H8ClN3/c12-10-4-8(6-14)15-11-3-7(5-13)1-2-9(10)11/h1-4H,5,13H2
InChIKeyZTUPTPDNQJJETK-UHFFFAOYSA-N
XLogP2.22
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-fluoroquinoline-2-carbonitrile
CID 83527195
4,7,8-trichloroquinoline-2-carbonitrile
CID 146674031
4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 123135259
(2-chloro-5-fluoroquinolin-7-yl)methanamine
CID 171502076
4-amino-6-chloroquinoline-2-carbonitrile
CID 84620141
7-(bromomethyl)-4-(furan-3-yl)quinoline-2-carbonitrile
CID 23370213
6-(aminomethyl)-3-chloroisoquinolin-1-amine
CID 118482425
1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile
CID 81155464
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
5,6,7-trifluoroquinoline-2-carbonitrile
CID 102941305

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile?
The IUPAC name of 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile (CID 143730981) is 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile.
What is the SMILES notation for 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile?
The canonical SMILES for 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile is N#Cc1cc(Cl)c2ccc(CN)cc2n1.
What is the InChIKey of 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile?
The InChIKey is ZTUPTPDNQJJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-10-4-8(6-14)15-11-3-7(5-13)1-2-9(10)11/h1-4H,5,13H2.
What are the key properties of 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile?
7-(aminomethyl)-4-chloroquinoline-2-carbonitrile has a molecular weight of 217.66 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-4-chloroquinoline-2-carbonitrile is sourced from PubChem (CID 143730981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).