3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile

C15H14ClN3 — CID 54997318

IUPAC3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C15H14ClN3/c16-11-2-5-13-14(10-11)18-8-6-15(13)19(9-1-7-17)12-3-4-12/h2,5-6,8,10,12H,1,3-4,9H2
InChIKeyBYOAOJVAYMTEEL-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.77
Rot. Bonds4

About 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile

3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile (PubChem CID 54997318) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
PubChem CID54997318
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1ccnc2cc(Cl)ccc12)C1CC1
InChIInChI=1S/C15H14ClN3/c16-11-2-5-13-14(10-11)18-8-6-15(13)19(9-1-7-17)12-3-4-12/h2,5-6,8,10,12H,1,3-4,9H2
InChIKeyBYOAOJVAYMTEEL-UHFFFAOYSA-N
XLogP3.77
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile (CID 54997318) is 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile is N#CCCN(c1ccnc2cc(Cl)ccc12)C1CC1.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile?
The InChIKey is BYOAOJVAYMTEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-11-2-5-13-14(10-11)18-8-6-15(13)19(9-1-7-17)12-3-4-12/h2,5-6,8,10,12H,1,3-4,9H2.
What are the key properties of 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile?
3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile has a molecular weight of 271.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 54997318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).