7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline

C19H22ClN3 — CID 123173057

IUPAC7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline
SMILESC=Cc1c(N2CCN(C)CC2)nc2cc(Cl)ccc2c1C=CC
InChIInChI=1S/C19H22ClN3/c1-4-6-16-15(5-2)19(23-11-9-22(3)10-12-23)21-18-13-14(20)7-8-17(16)18/h4-8,13H,2,9-12H2,1,3H3
InChIKeyDGIYINRYPJBMDI-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.32
Rot. Bonds3

About 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline

7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline (PubChem CID 123173057) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline.

Molecular Properties

Compound Name7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline
PubChem CID123173057
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline
SMILESC=Cc1c(N2CCN(C)CC2)nc2cc(Cl)ccc2c1C=CC
InChIInChI=1S/C19H22ClN3/c1-4-6-16-15(5-2)19(23-11-9-22(3)10-12-23)21-18-13-14(20)7-8-17(16)18/h4-8,13H,2,9-12H2,1,3H3
InChIKeyDGIYINRYPJBMDI-UHFFFAOYSA-N
XLogP4.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline?
The IUPAC name of 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline (CID 123173057) is 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline.
What is the SMILES notation for 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline?
The canonical SMILES for 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline is C=Cc1c(N2CCN(C)CC2)nc2cc(Cl)ccc2c1C=CC.
What is the InChIKey of 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline?
The InChIKey is DGIYINRYPJBMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-4-6-16-15(5-2)19(23-11-9-22(3)10-12-23)21-18-13-14(20)7-8-17(16)18/h4-8,13H,2,9-12H2,1,3H3.
What are the key properties of 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline?
7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline has a molecular weight of 327.86 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethenyl-2-(4-methylpiperazin-1-yl)-4-prop-1-enylquinoline is sourced from PubChem (CID 123173057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).